Chembase list of 866358 unique molecular structures

N-[(3-fluorophenyl)methylidene]hydroxylamine

$$$$ Data

M. F.

C7H6FNO

Suppliers	Catalog Number
Apollo Scientific	PC8193

Database	Data ID
PubChem	6876522

M. W.

139.1270432

CAS

Similarity

N/A

ID: 100052

N-[(4-fluorophenyl)methylidene]hydroxylamine

$$$$ Data

M. F.

C7H6FNO

Suppliers	Catalog Number
Sigma Aldrich	222631
Apollo Scientific	PC8194

Database	Data ID
PubChem	6436078

M. W.

139.1270432

CAS

459-23-4

Similarity

N/A

ID: 100053

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

$$$$ Data

M. F.

C15H10FNO2

Suppliers	Catalog Number
Apollo Scientific	PC8195

Database	Data ID
PubChem	2774444

M. W.

255.2438032

CAS

Similarity

N/A

ID: 100054

4-fluoro-1,2-diiodobenzene

$$$$ Data

M. F.

C6H3FI2

Suppliers	Catalog Number
Apollo Scientific	PC8196

Database	Data ID
PubChem	2774254

M. W.

347.8953632

CAS

Similarity

N/A

ID: 100055

1-[2-fluoro-4-(heptyloxy)phenyl]ethan-1-one

$$$$ Data

M. F.

C15H21FO2

Suppliers	Catalog Number
Apollo Scientific	PC8197

Database	Data ID
PubChem	2774473

M. W.

252.3244432

CAS

Similarity

N/A

ID: 100056

1-[2-fluoro-4-(hexyloxy)phenyl]ethan-1-one

$$$$ Data

M. F.

C14H19FO2

Suppliers	Catalog Number
Apollo Scientific	PC8198

Database	Data ID
PubChem	2774476

M. W.

238.2978632

CAS

Similarity

N/A

ID: 100057

2-fluoro-4-(heptyloxy)benzoic acid

$$$$ Data

M. F.

C14H19FO3

Suppliers	Catalog Number
Apollo Scientific	PC8199

Database	Data ID
PubChem	2774475

M. W.

254.2972632

CAS

Similarity

N/A

ID: 100058

2-fluoro-4-(hexyloxy)benzoic acid

$$$$ Data

M. F.

C13H17FO3

Suppliers	Catalog Number
Apollo Scientific	PC8200

Database	Data ID
PubChem	2774477

M. W.

240.2706832

CAS

Similarity

N/A

ID: 100059

1-fluoro-3-iodo-2-methylbenzene

$$$$ Data

M. F.

C7H6FI

Suppliers	Catalog Number
Sigma Aldrich	646342
Apollo Scientific	PC8201

Database	Data ID
PubChem	2774523

M. W.

236.0254132

CAS

443-85-6

Similarity

N/A

ID: 100060

2-fluoro-1-iodo-4-methylbenzene

$$$$ Data

M. F.

C7H6FI

Suppliers	Catalog Number
Sigma Aldrich	635154
Alfa Aesar	H53491
Apollo Scientific	PC8202

Database	Data ID
PubChem	2774524

M. W.

236.0254132

CAS

452-79-9

Similarity

N/A

ID: 100061

4-fluoro-5-methyl-1H-indole

$$$$ Data

M. F.

C9H8FN

Suppliers	Catalog Number
Apollo Scientific	PC8203

Database	Data ID
PubChem	2774610

M. W.

149.1649232

CAS

Similarity

N/A

ID: 100062

5-fluoro-2-methoxyaniline

$$$$ Data More

M. F.

C7H8FNO

Suppliers	Catalog Number
Sigma Aldrich	683310
Alfa Aesar	H32525
Apollo Scientific	PC8205

Database	Data ID
PubChem	223105

M. W.

141.1429232

CAS

1978-39-8

Similarity

N/A

ID: 100063

4-fluoro-2-methoxybenzaldehyde

$$$$ Data More

M. F.

C8H7FO2

Suppliers	Catalog Number
Alfa Aesar	H26091
Apollo Scientific	PC8206
Chemik	CHB22800

Database	Data ID
PubChem	2774537

M. W.

154.1383832

CAS

450-83-9

Similarity

N/A

ID: 100064

2-fluoro-5-methoxybenzoic acid

$$$$ Data

M. F.

C8H7FO3

Suppliers	Catalog Number
Apollo Scientific	PC8208
Chemik	CHB47700

Database	Data ID
PubChem	2774543

M. W.

170.1377832

CAS

367-83-9

Similarity

N/A

ID: 100065

2-fluoro-4-methoxyphenol

$$$$ Data

M. F.

C7H7FO2

Suppliers	Catalog Number
Apollo Scientific	PC8211
A&J Pharmtech	AJA-O4718

Database	Data ID
PubChem	2774557

M. W.

142.1276832

CAS

167683-93-4

Similarity

N/A

ID: 100066

diphenyliodanium; hexafluoro-$l^{5}-phosphanuide

$$$$ Data

M. F.

C12H10F6IP

Suppliers	Catalog Number
Sigma Aldrich	548014 43087
Alfa Aesar	A17934
Apollo Scientific	PC8214

Database	Data ID
PubChem	2737136

M. W.

426.0764502

CAS

58109-40-3

Similarity

N/A

ID: 100067

5-nitro-2-[4-(trifluoromethyl)phenoxy]benzaldehyde

$$$$ Data

M. F.

C14H8F3NO4

Suppliers	Catalog Number
Apollo Scientific	PC8216

Database	Data ID
PubChem	2777580

M. W.

311.2128296

CAS

Similarity

N/A

ID: 100068

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

$$$$ Data

M. F.

C10H13FO2

Suppliers	Catalog Number
Apollo Scientific	PC8217

Database	Data ID
PubChem	2774561

M. W.

184.2074232

CAS

Similarity

N/A

ID: 100069

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

$$$$ Data

M. F.

C10H13FO2

Suppliers	Catalog Number
Apollo Scientific	PC8218

Database	Data ID
PubChem	2774562

M. W.

184.2074232

CAS

Similarity

N/A

ID: 100070

2-fluoro-4-methoxy-1-methylbenzene

$$$$ Data

M. F.

C8H9FO

Suppliers	Catalog Number
Alfa Aesar	H32472
Apollo Scientific	PC8219
Bide Pharmatech	BD11180

Database	Data ID
PubChem	2774571

M. W.

140.1548632

CAS

405-06-1

Similarity

N/A

ID: 100071

4-fluoro-2-methoxy-1-methylbenzene

$$$$ Data

M. F.

C8H9FO

Suppliers	Catalog Number
Alfa Aesar	B25629
Apollo Scientific	PC8220

Database	Data ID
PubChem	2774573

M. W.

140.1548632

CAS

95729-22-9

Similarity

N/A

ID: 100072

1-[2-fluoro-4-(nonyloxy)phenyl]ethan-1-one

$$$$ Data

M. F.

C17H25FO2

Suppliers	Catalog Number
Apollo Scientific	PC8223

Database	Data ID
PubChem	2774671

M. W.

280.3776032

CAS

Similarity

N/A

ID: 100073

1-[2-fluoro-4-(octyloxy)phenyl]ethan-1-one

$$$$ Data

M. F.

C16H23FO2

Suppliers	Catalog Number
Apollo Scientific	PC8224

Database	Data ID
PubChem	2774673

M. W.

266.3510232

CAS

Similarity

N/A

ID: 100074

1-[2-fluoro-4-(pentyloxy)phenyl]ethan-1-one

$$$$ Data

M. F.

C13H17FO2

Suppliers	Catalog Number
Apollo Scientific	PC8225

Database	Data ID
PubChem	2774675

M. W.

224.2712832

CAS

Similarity

N/A

ID: 100075

2-fluoro-4-(nonyloxy)benzoic acid

$$$$ Data

M. F.

C16H23FO3

Suppliers	Catalog Number
Apollo Scientific	PC8226

Database	Data ID
PubChem	2774672

M. W.

282.3504232

CAS

Similarity

N/A

ID: 100076

2-fluoro-4-(octyloxy)benzoic acid

$$$$ Data

M. F.

C15H21FO3

Suppliers	Catalog Number
Apollo Scientific	PC8227

Database	Data ID
PubChem	2774674

M. W.

268.3238432

CAS

Similarity

N/A

ID: 100077

2-fluoro-4-(pentyloxy)benzoic acid

$$$$ Data

M. F.

C12H15FO3

Suppliers	Catalog Number
Apollo Scientific	PC8228

Database	Data ID
PubChem	2774677

M. W.

226.2441032

CAS

Similarity

N/A

ID: 100078

1-methoxy-4-(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H7F3O

Suppliers	Catalog Number
Apollo Scientific	PC8229

Database	Data ID
PubChem	600604

M. W.

176.1357896

CAS

402-52-8

Similarity

N/A

ID: 100079

1-methoxy-2-(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H7F3O

Suppliers	Catalog Number
Alfa Aesar	H26102
Apollo Scientific	PC8230

Database	Data ID
PubChem	2775251

M. W.

176.1357896

CAS

16222-42-7

Similarity

N/A

ID: 100080

3-[4-(trifluoromethyl)phenoxy]propanoic acid

$$$$ Data

M. F.

C10H9F3O3

Suppliers	Catalog Number
Apollo Scientific	PC8232

Database	Data ID
PubChem	2777582

M. W.

234.1718696

CAS

Similarity

N/A

ID: 100081

2-[4-(trifluoromethyl)phenoxy]acetic acid

$$$$ Data

M. F.

C9H7F3O3

Suppliers	Catalog Number
Apollo Scientific	PC8233
Enamine	EN300-43915

Database	Data ID
PubChem	2777570

M. W.

220.1452896

CAS

Similarity

N/A

ID: 100082

4-bromo-2,6-difluorobenzaldehyde

$$$$ Data More

M. F.

C7H3BrF2O

Suppliers	Catalog Number
Sigma Aldrich	706957
Alfa Aesar	H27737
Apollo Scientific	PC8236

Database	Data ID
PubChem	2773290

M. W.

220.9989264

CAS

537013-51-7

Similarity

N/A

ID: 100083

(4-bromo-2,6-difluorophenyl)methanol

$$$$ Data More

M. F.

C7H5BrF2O

Suppliers	Catalog Number
Sigma Aldrich	533033
Apollo Scientific	PC8239
Chemik	CHB63072

Database	Data ID
PubChem	2773303

M. W.

223.0148064

CAS

162744-59-4

Similarity

N/A

ID: 100084

4-(2-fluoro-4-nitrophenyl)morpholine

$$$$ Data

M. F.

C10H11FN2O3

Suppliers	Catalog Number
Apollo Scientific	PC8240

Database	Data ID
PubChem	2905489

M. W.

226.2043432

CAS

2689-39-6

Similarity

N/A

ID: 100085

5-bromo-2-(bromomethyl)-1,3-difluorobenzene

$$$$ Data

M. F.

C7H4Br2F2

Suppliers	Catalog Number
Apollo Scientific	PC8241
Bide Pharmatech	BD94789
A&J Pharmtech	AJA-O8196 AJA-O8219 AJA-O9057

Database	Data ID
PubChem	2773305

M. W.

285.9114664

CAS

162744-60-7

Similarity

N/A

ID: 100086

2-(bromomethyl)-5-chloro-1,3-difluorobenzene

$$$$ Data

M. F.

C7H4BrClF2

Suppliers	Catalog Number
Alfa Aesar	H26707
Apollo Scientific	PC8242
Bide Pharmatech	BD95676

Database	Data ID
PubChem	2773551

M. W.

241.4604664

CAS

537013-52-8

Similarity

N/A

ID: 100087

2-(4-bromo-2,6-difluorophenyl)acetonitrile

$$$$ Data

M. F.

C8H4BrF2N

Suppliers	Catalog Number
Apollo Scientific	PC8243
TRC	B683465
Chemik	CHB09112

Database	Data ID
PubChem	2773311

M. W.

232.0248664

CAS

537033-52-6

Similarity

N/A

ID: 100088

2-(4-chloro-2,6-difluorophenyl)acetonitrile

$$$$ Data

M. F.

C8H4ClF2N

Suppliers	Catalog Number
Apollo Scientific	PC8244
TRC	C365320
Chemik	CHB09113

Database	Data ID
PubChem	2773572

M. W.

187.5738664

CAS

537033-53-7

Similarity

N/A

ID: 100089

2-(4-bromo-2,6-difluorophenyl)acetic acid

$$$$ Data

M. F.

C8H5BrF2O2

Suppliers	Catalog Number
Apollo Scientific	PC8245
TRC	B684080
Chemik	CHB15322

Database	Data ID
PubChem	2773309

M. W.

251.0249064

CAS

537033-54-8

Similarity

N/A

ID: 100090

2-(4-chloro-2,6-difluorophenyl)acetic acid

$$$$ Data

M. F.

C8H5ClF2O2

Suppliers	Catalog Number
Alfa Aesar	H26257
Apollo Scientific	PC8246
A&J Pharmtech	AJA-O9649

Database	Data ID
PubChem	2773570

M. W.

206.5739064

CAS

537033-55-9

Similarity

N/A

ID: 100091

4-bromo-2,3,6-trifluorobenzaldehyde

$$$$ Data

M. F.

C7H2BrF3O

Suppliers	Catalog Number
Apollo Scientific	PC8247

Database	Data ID
PubChem	2773413

M. W.

238.9893896

CAS

Similarity

N/A

ID: 100092

(4-bromo-2,3,6-trifluorophenyl)methanol

$$$$ Data

M. F.

C7H4BrF3O

Suppliers	Catalog Number
Apollo Scientific	PC8248

Database	Data ID
PubChem	2773416

M. W.

241.0052696

CAS

Similarity

N/A

ID: 100093

1-bromo-4-(bromomethyl)-2,3,5-trifluorobenzene

$$$$ Data

M. F.

C7H3Br2F3

Suppliers	Catalog Number
Apollo Scientific	PC8249

Database	Data ID
PubChem	2773415

M. W.

303.9019296

CAS

Similarity

N/A

ID: 100094

2-(4-bromo-2,3,6-trifluorophenyl)acetonitrile

$$$$ Data

M. F.

C8H3BrF3N

Suppliers	Catalog Number
Apollo Scientific	PC8250

Database	Data ID
PubChem	2773428

M. W.

250.0153296

CAS

Similarity

N/A

ID: 100095

2-(4-bromo-2,3,6-trifluorophenyl)acetic acid

$$$$ Data

M. F.

C8H4BrF3O2

Suppliers	Catalog Number
Apollo Scientific	PC8251

Database	Data ID
PubChem	2773427

M. W.

269.0153696

CAS

Similarity

N/A

ID: 100096

1$l^{4},3-benzodithiol-1-ylium; tetrafluoroboranuide

$$$$ Data

M. F.

C7H5BF4S2

Suppliers	Catalog Number
Sigma Aldrich	B3667 393770 12347
Apollo Scientific	PC8254

Database	Data ID
PubChem	2735971

M. W.

240.0492128

CAS

57842-27-0

Similarity

N/A

ID: 100097

4-chloro-2,3,6-trifluorobenzaldehyde

$$$$ Data

M. F.

C7H2ClF3O

Suppliers	Catalog Number
Apollo Scientific	PC8255

Database	Data ID
PubChem	2773838

M. W.

194.5383896

CAS

Similarity

N/A

ID: 100098

2-(4-chloro-2,3,6-trifluorophenyl)acetonitrile

$$$$ Data

M. F.

C8H3ClF3N

Suppliers	Catalog Number
Apollo Scientific	PC8257

Database	Data ID
PubChem	2773924

M. W.

205.5643296

CAS

Similarity

N/A

ID: 100099

(4-chloro-2,3,6-trifluorophenyl)methanol

$$$$ Data

M. F.

C7H4ClF3O

Suppliers	Catalog Number
Apollo Scientific	PC8258

Database	Data ID
PubChem	2773841

M. W.

196.5542696

CAS

252004-68-5

Similarity

N/A

ID: 100100

2-(4-chloro-2,3,6-trifluorophenyl)acetic acid

$$$$ Data

M. F.

C8H4ClF3O2

Suppliers	Catalog Number
Apollo Scientific	PC8259

Database	Data ID
PubChem	2773923

M. W.

224.5643696

CAS

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