Chembase list of 866358 unique molecular structures

[5-(4-bromobenzenesulfonyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methano...

$$$$ Data

M. F.

C12H10BrF3N2O3S

Suppliers	Catalog Number
Apollo Scientific	PC8127

Database	Data ID
PubChem	1478788

M. W.

399.1836096

CAS

Similarity

N/A

ID: 100002

(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)[(4-chlorophenyl)methy...

$$$$ Data

M. F.

C15H14Cl2F3N3

Suppliers	Catalog Number
Apollo Scientific	PC8128

Database	Data ID
PubChem	2773469

M. W.

364.1929696

CAS

Similarity

N/A

ID: 100003

5-{[(4-chlorophenyl)methyl]sulfanyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-...

$$$$ Data

M. F.

C13H10ClF3N2OS

Suppliers	Catalog Number
Apollo Scientific	PC8129

Database	Data ID
PubChem	2773473

M. W.

334.7445096

CAS

Similarity

N/A

ID: 100004

N-{2-[(2-amino-6-chlorophenyl)amino]ethyl}-3-chloro-5-(trifluoromethyl)pyridin-2...

$$$$ Data

M. F.

C14H13Cl2F3N4

Suppliers	Catalog Number
Apollo Scientific	PC8135

Database	Data ID
PubChem	2773484

M. W.

365.1810296

CAS

Similarity

N/A

ID: 100005

4-chloro-N-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)butanamide

$$$$ Data

M. F.

C16H13Cl2F3N2O2

Suppliers	Catalog Number
Apollo Scientific	PC8137

Database	Data ID
PubChem	2773490

M. W.

393.1878296

CAS

Similarity

N/A

ID: 100006

prop-2-en-1-yl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate

$$$$ Data

M. F.

C11H5F15O2

Suppliers	Catalog Number
Apollo Scientific	PC8142

Database	Data ID
PubChem	2735870

M. W.

454.132248

CAS

Similarity

N/A

ID: 100007

N-[2-chloro-5-(trifluoromethyl)phenyl]formamide

$$$$ Data

M. F.

C8H5ClF3NO

Suppliers	Catalog Number
Apollo Scientific	PC8143

Database	Data ID
PubChem	242309

M. W.

223.5796096

CAS

657-63-6

Similarity

N/A

ID: 100008

(2-chloro-4-fluorophenyl)methanamine hydrochloride

$$$$ Data

M. F.

C7H8Cl2FN

Suppliers	Catalog Number
Apollo Scientific	PC8148

Database	Data ID
PubChem	2773618

M. W.

196.0495232

CAS

Similarity

N/A

ID: 100009

(4-chloro-3-fluorophenyl)methanamine hydrochloride

$$$$ Data

M. F.

C7H8Cl2FN

Suppliers	Catalog Number
Apollo Scientific	PC8149

Database	Data ID
PubChem	2773620

M. W.

196.0495232

CAS

Similarity

N/A

ID: 100010

2-[(2-chloro-4-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C15H9ClFNO2

Suppliers	Catalog Number
Apollo Scientific	PC8150

Database	Data ID
PubChem	2773635

M. W.

289.6888632

CAS

Similarity

N/A

ID: 100011

2-[(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C15H9ClFNO2

Suppliers	Catalog Number
Apollo Scientific	PC8151

Database	Data ID
PubChem	2773636

M. W.

289.6888632

CAS

Similarity

N/A

ID: 100012

3-(2-chloro-4-fluorophenyl)prop-2-enoic acid

$$$$ Data More

M. F.

C9H6ClFO2

Suppliers	Catalog Number
Alfa Aesar	B23062
Apollo Scientific	PC8152
Bide Pharmatech	BD7250

Database	Data ID
PubChem	6257297

M. W.

200.5941432

CAS

133220-86-7

Similarity

N/A

ID: 100013

3-(4-chloro-3-fluorophenyl)prop-2-enoic acid

$$$$ Data

M. F.

C9H6ClFO2

Suppliers	Catalog Number
Alfa Aesar	H32636
Apollo Scientific	PC8154

Database	Data ID
PubChem	5708403

M. W.

200.5941432

CAS

202982-66-9

Similarity

N/A

ID: 100014

1-chloro-4-fluoro-2-iodobenzene

$$$$ Data

M. F.

C6H3ClFI

Suppliers	Catalog Number
Apollo Scientific	PC8155

Database	Data ID
PubChem	2756247

M. W.

256.4438932

CAS

202982-68-1

Similarity

N/A

ID: 100015

4-chloro-1-fluoro-2-iodobenzene

$$$$ Data

M. F.

C6H3ClFI

Suppliers	Catalog Number
Apollo Scientific	PC8156

Database	Data ID
PubChem	2773652

M. W.

256.4438932

CAS

Similarity

N/A

ID: 100016

1-chloro-5-fluoro-2-iodo-4-methylbenzene

$$$$ Data

M. F.

C7H5ClFI

Suppliers	Catalog Number
Apollo Scientific	PC8157

Database	Data ID
PubChem	2773653

M. W.

270.4704732

CAS

202982-69-2

Similarity

N/A

ID: 100017

2-chloro-1-ethoxy-4-fluorobenzene

$$$$ Data

M. F.

C8H8ClFO

Suppliers	Catalog Number
Apollo Scientific	PC8158

Database	Data ID
PubChem	2773700

M. W.

174.5999232

CAS

181305-71-5

Similarity

N/A

ID: 100018

1-chloro-2-ethoxy-4-fluorobenzene

$$$$ Data

M. F.

C8H8ClFO

Suppliers	Catalog Number
Apollo Scientific	PC8159

Database	Data ID
PubChem	2773702

M. W.

174.5999232

CAS

289039-35-6

Similarity

N/A

ID: 100019

2-chloro-4-ethoxy-1-fluorobenzene

$$$$ Data

M. F.

C8H8ClFO

Suppliers	Catalog Number
Apollo Scientific	PC8160

Database	Data ID
PubChem	2773703

M. W.

174.5999232

CAS

289039-45-8

Similarity

N/A

ID: 100020

1-chloro-3-ethoxy-5-fluorobenzene

$$$$ Data

M. F.

C8H8ClFO

Suppliers	Catalog Number
Apollo Scientific	PC8161

Database	Data ID
PubChem	2773705

M. W.

174.5999232

CAS

289039-42-5

Similarity

N/A

ID: 100021

4-chloro-1-ethoxy-2-fluorobenzene

$$$$ Data

M. F.

C8H8ClFO

Suppliers	Catalog Number
Apollo Scientific	PC8162

Database	Data ID
PubChem	2773706

M. W.

174.5999232

CAS

289039-40-3

Similarity

N/A

ID: 100022

1-chloro-4-ethoxy-2-fluorobenzene

$$$$ Data

M. F.

C8H8ClFO

Suppliers	Catalog Number
Apollo Scientific	PC8163

Database	Data ID
PubChem	2773708

M. W.

174.5999232

CAS

289039-33-4

Similarity

N/A

ID: 100023

4-chloro-2-ethoxy-1-fluorobenzene

$$$$ Data

M. F.

C8H8ClFO

Suppliers	Catalog Number
Apollo Scientific	PC8164
Chemik	CHH20581
Bide Pharmatech	BD103358

Database	Data ID
PubChem	2773709

M. W.

174.5999232

CAS

289039-34-5

Similarity

N/A

ID: 100024

3-chloro-5-fluorophenol

$$$$ Data

M. F.

C6H4ClFO

Suppliers	Catalog Number
Alfa Aesar	H26195
Apollo Scientific	PC8165
Chemik	CHB84500

Database	Data ID
PubChem	2773713

M. W.

146.5467632

CAS

202982-70-5

Similarity

N/A

ID: 100025

2-chloro-4-fluoro-1-(propan-2-yloxy)benzene

$$$$ Data

M. F.

C9H10ClFO

Suppliers	Catalog Number
Apollo Scientific	PC8166
Bide Pharmatech	BD61177

Database	Data ID
PubChem	2773715

M. W.

188.6265032

CAS

202982-71-6

Similarity

N/A

ID: 100026

3-(heptafluoropropyl)-5-methyl-1H-pyrazole

$$$$ Data

M. F.

C7H5F7N2

Suppliers	Catalog Number
Apollo Scientific	PC8167

Database	Data ID
PubChem	2774945

M. W.

250.1168224

CAS

75823-64-2

Similarity

N/A

ID: 100027

1-(3-chloro-4-fluorophenyl)propan-1-one

$$$$ Data

M. F.

C9H8ClFO

Suppliers	Catalog Number
Apollo Scientific	PC8168

Database	Data ID
PubChem	2773738

M. W.

186.6106232

CAS

Similarity

N/A

ID: 100028

1-chloro-2,3,4-trifluorobenzene

$$$$ Data

M. F.

C6H2ClF3

Suppliers	Catalog Number
Alfa Aesar	B23060
Apollo Scientific	PC8169
Bide Pharmatech	BD33409

Database	Data ID
PubChem	142097

M. W.

166.5282896

CAS

36556-42-0

Similarity

N/A

ID: 100029

1-[4-(decyloxy)-2-fluorophenyl]ethan-1-one

$$$$ Data

M. F.

C18H27FO2

Suppliers	Catalog Number
Apollo Scientific	PC8170

Database	Data ID
PubChem	2773945

M. W.

294.4041832

CAS

Similarity

N/A

ID: 100030

1,5-dibromo-3-fluoro-2-methoxybenzene

$$$$ Data

M. F.

C7H5Br2FO

Suppliers	Catalog Number
Apollo Scientific	PC8171

Database	Data ID
PubChem	2773964

M. W.

283.9204032

CAS

Similarity

N/A

ID: 100031

1,3-dibromo-5-fluoro-2-methoxybenzene

$$$$ Data

M. F.

C7H5Br2FO

Suppliers	Catalog Number
Apollo Scientific	PC8172
A&J Pharmtech	AJA-O6681

Database	Data ID
PubChem	2773965

M. W.

283.9204032

CAS

443-41-4

Similarity

N/A

ID: 100032

2,2,3,3,4,4,4-heptafluoro-1-[5-(heptafluoropropyl)-3-(trifluoromethyl)-1H-pyrazo...

$$$$ Data

M. F.

C11HF17N2O

Suppliers	Catalog Number
Apollo Scientific	PC8173

Database	Data ID
PubChem	2774878

M. W.

500.1112944

CAS

Similarity

N/A

ID: 100033

6,7-dichloro-2-methyl-3-(trifluoromethyl)quinoxaline

$$$$ Data

M. F.

C10H5Cl2F3N2

Suppliers	Catalog Number
Apollo Scientific	PC8174
Bide Pharmatech	BD230349

Database	Data ID
PubChem	10401449

M. W.

281.0613096

CAS

143309-87-9

Similarity

N/A

ID: 100034

4,5-dibromo-2-fluorobenzoic acid

$$$$ Data

M. F.

C7H3Br2FO2

Suppliers	Catalog Number
Apollo Scientific	PC8175

Database	Data ID
PubChem	2773971

M. W.

297.9039232

CAS

Similarity

N/A

ID: 100035

2-bromo-1-(methylsulfanyl)-4-(trifluoromethoxy)benzene

$$$$ Data

M. F.

C8H6BrF3OS

Suppliers	Catalog Number
Apollo Scientific	PC8176

Database	Data ID
PubChem	26986226

M. W.

287.0968496

CAS

Similarity

N/A

ID: 100036

2,6-dibromo-4-fluorophenol

$$$$ Data

M. F.

C6H3Br2FO

Suppliers	Catalog Number
Sigma Aldrich	260037
Alfa Aesar	B24782
Apollo Scientific	PC8177

Database	Data ID
PubChem	67654

M. W.

269.8938232

CAS

344-20-7

Similarity

N/A

ID: 100037

1,2-dibromo-4-fluoro-5-methylbenzene

$$$$ Data

M. F.

C7H5Br2F

Suppliers	Catalog Number
Apollo Scientific	PC8178
Chemik	CHB54017

Database	Data ID
PubChem	2773986

M. W.

267.9210032

CAS

202982-77-2

Similarity

N/A

ID: 100038

1,2-dibromo-3,4,5-trifluorobenzene

$$$$ Data

M. F.

C6HBr2F3

Suppliers	Catalog Number
Apollo Scientific	PC8179

Database	Data ID
PubChem	2773994

M. W.

289.8753496

CAS

Similarity

N/A

ID: 100039

1,3-dichloro-2,4-difluorobenzene

$$$$ Data

M. F.

C6H2Cl2F2

Suppliers	Catalog Number
Apollo Scientific	PC8180

Database	Data ID
PubChem	142095

M. W.

182.9828864

CAS

36556-37-3

Similarity

N/A

ID: 100040

2,6-dichloro-4-fluoroaniline

$$$$ Data More

M. F.

C6H4Cl2FN

Suppliers	Catalog Number
Alfa Aesar	B25443
Apollo Scientific	PC8181
Enamine	EN300-109509

Database	Data ID
PubChem	2774008

M. W.

180.0070632

CAS

344-19-4

Similarity

N/A

ID: 100041

1,2-dichloro-4-fluoro-5-methylbenzene

$$$$ Data

M. F.

C7H5Cl2F

Suppliers	Catalog Number
Apollo Scientific	PC8183

Database	Data ID
PubChem	2774024

M. W.

179.0190032

CAS

Similarity

N/A

ID: 100042

4-(2,4-difluorophenyl)-4-oxobutanoic acid

$$$$ Data More

M. F.

C10H8F2O3

Suppliers	Catalog Number
Apollo Scientific	PC8184
TRC	D445880
Enamine	EN300-50232

Database	Data ID
PubChem	2774081

M. W.

214.1655264

CAS

110931-77-6

Similarity

N/A

ID: 100043

1,2-difluoro-4,5-dimethoxybenzene

$$$$ Data

M. F.

C8H8F2O2

Suppliers	Catalog Number
Sigma Aldrich	369128
Alfa Aesar	A19054
Apollo Scientific	PC8185

Database	Data ID
PubChem	853175

M. W.

174.1447264

CAS

203059-80-7

Similarity

N/A

ID: 100044

N-(4,5-difluoro-2-nitrophenyl)acetamide

$$$$ Data

M. F.

C8H6F2N2O3

Suppliers	Catalog Number
Apollo Scientific	PC8186
Enamine	EN300-28766

Database	Data ID
PubChem	540127

M. W.

216.1416464

CAS

1662-21-1

Similarity

N/A

ID: 100045

4-ethoxy-1,2-difluorobenzene

$$$$ Data

M. F.

C8H8F2O

Suppliers	Catalog Number
Alfa Aesar	B25590
Apollo Scientific	PC8187
A&J Pharmtech	AJA-O2128

Database	Data ID
PubChem	2774187

M. W.

158.1453264

CAS

163848-46-2

Similarity

N/A

ID: 100046

2,4-difluoro-1-(propan-2-yloxy)benzene

$$$$ Data

M. F.

C9H10F2O

Suppliers	Catalog Number
Apollo Scientific	PC8188

Database	Data ID
PubChem	2774194

M. W.

172.1719064

CAS

Similarity

N/A

ID: 100047

1,2-difluoro-4-(propan-2-yloxy)benzene

$$$$ Data

M. F.

C9H10F2O

Suppliers	Catalog Number
Apollo Scientific	PC8189

Database	Data ID
PubChem	2774195

M. W.

172.1719064

CAS

Similarity

N/A

ID: 100048

1-fluoro-3,5-dimethoxybenzene

$$$$ Data More

M. F.

C8H9FO2

Suppliers	Catalog Number
Sigma Aldrich	322342
Alfa Aesar	B24810
Apollo Scientific	PC8190

Database	Data ID
PubChem	2774257

M. W.

156.1542632

CAS

52189-63-6

Similarity

N/A

ID: 100049

2-fluoro-4,5-dimethoxybenzonitrile

$$$$ Data

M. F.

C9H8FNO2

Suppliers	Catalog Number
Apollo Scientific	PC8191

Database	Data ID
PubChem	2774258

M. W.

181.1637232

CAS

Similarity

N/A

ID: 100050

N-[(2-fluorophenyl)methylidene]hydroxylamine

$$$$ Data

M. F.

C7H6FNO

Suppliers	Catalog Number
Apollo Scientific	PC8192
A&J Pharmtech	AJA-O10024

Database	Data ID
PubChem	6876521

M. W.

139.1270432

CAS

24652-66-2

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified