Chembase list of 866358 unique molecular structures

5-chloro-2,3-difluoro-4-methylbenzoyl chloride

$$$$ Data

M. F.

C8H4Cl2F2O

Suppliers	Catalog Number
Apollo Scientific	PC4162

Database	Data ID
PubChem	40423743

M. W.

225.0195664

CAS

Similarity

N/A

ID: 97202

4-fluorobenzene-1,2-dicarbonitrile

$$$$ Data More

M. F.

C8H3FN2

Suppliers	Catalog Number
Sigma Aldrich	47410
Alfa Aesar	B22624
Apollo Scientific	PC4163

Database	Data ID
PubChem	103423

M. W.

146.1212232

CAS

65610-14-2

Similarity

N/A

ID: 97203

4-chloro-5-(difluoromethyl)-2-fluoro-1,3-thiazole

$$$$ Data

M. F.

C4HClF3NS

Suppliers	Catalog Number
Apollo Scientific	PC4170

Database	Data ID
PubChem	13673195

M. W.

187.5706496

CAS

105315-45-5

Similarity

N/A

ID: 97204

1-(4-fluorophenyl)-2-methylpropan-2-amine hydrochloride

$$$$ Data

M. F.

C10H15ClFN

Suppliers	Catalog Number
Apollo Scientific	PC4170N
Bide Pharmatech	BD241257

Database	Data ID
PubChem	22597146

M. W.

203.6842032

CAS

2413-54-9

Similarity

N/A

ID: 97205

5-(4-fluorophenyl)-1,3-oxazole

$$$$ Data

M. F.

C9H6FNO

Suppliers	Catalog Number
Apollo Scientific	PC4174C

Database	Data ID
PubChem	2737480

M. W.

163.1484432

CAS

128101-19-9

Similarity

N/A

ID: 97206

1-(4-fluorophenyl)-3,3-disulfanylprop-2-en-1-one

$$$$ Data

M. F.

C9H7FOS2

Suppliers	Catalog Number
Maybridge	RH00337
Apollo Scientific	PC4174D

Database	Data ID
PubChem	579447

M. W.

214.2796832

CAS

67259-61-4

Similarity

N/A

ID: 97207

6-(chlorodifluoromethyl)pyridine-3-carboxylic acid

$$$$ Data

M. F.

C7H4ClF2NO2

Suppliers	Catalog Number
Apollo Scientific	PC4175

Database	Data ID
PubChem	40427098

M. W.

207.5619664

CAS

Similarity

N/A

ID: 97208

3-amino-1-(2-fluorophenyl)thiourea

$$$$ Data

M. F.

C7H8FN3S

Suppliers	Catalog Number
Alfa Aesar	L12920
Apollo Scientific	PC4175J

Database	Data ID
PubChem	737276

M. W.

185.2219232

CAS

38985-72-7

Similarity

N/A

ID: 97209

(2-fluorophenyl)thiourea

$$$$ Data

M. F.

C7H7FN2S

Suppliers	Catalog Number
Alfa Aesar	B20883
Apollo Scientific	PC4175M
Enamine	EN300-28848

Database	Data ID
PubChem	2737500

M. W.

170.2072832

CAS

656-32-6

Similarity

N/A

ID: 97210

N-(4-fluorophenyl)-3-(trifluoromethyl)benzamide

$$$$ Data

M. F.

C14H9F4NO

Suppliers	Catalog Number
Alfa Aesar	H57830
Apollo Scientific	PC4175W

Database	Data ID
PubChem	531806

M. W.

283.2209728

CAS

Similarity

N/A

ID: 97211

(2-fluorophenyl)urea

$$$$ Data

M. F.

C7H7FN2O

Suppliers	Catalog Number
Alfa Aesar	L01247
Apollo Scientific	PC4178

Database	Data ID
PubChem	12606

M. W.

154.1416832

CAS

656-31-5

Similarity

N/A

ID: 97212

(4-fluorophenyl)urea

$$$$ Data

M. F.

C7H7FN2O

Suppliers	Catalog Number
Alfa Aesar	L01314
Apollo Scientific	PC4179

Database	Data ID
PubChem	12612

M. W.

154.1416832

CAS

659-30-3

Similarity

N/A

ID: 97213

2-fluoropropane

$$$$ Data

M. F.

C3H7F

Suppliers	Catalog Number
Apollo Scientific	PC4179T

Database	Data ID
PubChem	9867

M. W.

62.0860832

CAS

420-26-8

Similarity

N/A

ID: 97214

1,2,5-tribromo-3-fluorobenzene

$$$$ Data

M. F.

C6H2Br3F

Suppliers	Catalog Number
Apollo Scientific	PC4180

Database	Data ID
PubChem	2724913

M. W.

332.7904832

CAS

Similarity

N/A

ID: 97215

5-(chlorodifluoromethyl)-1,2-oxazole

$$$$ Data

M. F.

C4H2ClF2NO

Suppliers	Catalog Number
Apollo Scientific	PC4181

Database	Data ID
PubChem	14181056

M. W.

153.5145864

CAS

116611-76-8

Similarity

N/A

ID: 97216

4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzoic acid

$$$$ Data

M. F.

C10H6F6O3

Suppliers	Catalog Number
Alfa Aesar	L14554
Apollo Scientific	PC4182

Database	Data ID
PubChem	591169

M. W.

288.1432592

CAS

16261-80-6

Similarity

N/A

ID: 97217

3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indole

$$$$ Data

M. F.

C17H16FN

Suppliers	Catalog Number
Alfa Aesar	L16341
Apollo Scientific	PC4185
TRC	I824525

Database	Data ID
PubChem	736229

M. W.

253.3140432

CAS

93957-49-4

Similarity

N/A

ID: 97218

methyl 3,5-difluorobenzoate

$$$$ Data

M. F.

C8H6F2O2

Suppliers	Catalog Number
Alfa Aesar	L17171
Apollo Scientific	PC4186

Database	Data ID
PubChem	2775360

M. W.

172.1288464

CAS

216393-55-4

Similarity

N/A

ID: 97219

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

$$$$ Data More

M. F.

C9H9FO

Suppliers	Catalog Number
Sigma Aldrich	128414
MP Biomedicals	02158144
Alfa Aesar	A16219

Database	Data ID
PubChem	68004

M. W.

152.1655632

CAS

456-03-1

Similarity

N/A

ID: 97220

5-chloro-2,4-difluoro-6-methylpyrimidine

$$$$ Data

M. F.

C5H3ClF2N2

Suppliers	Catalog Number
Apollo Scientific	PC4191
TRC	C365243

Database	Data ID
PubChem	13026333

M. W.

164.5405264

CAS

72630-78-5

Similarity

N/A

ID: 97221

3-[(chlorodifluoromethyl)sulfanyl]pentane-2,4-dione

$$$$ Data

M. F.

C6H7ClF2O2S

Suppliers	Catalog Number
Apollo Scientific	PC4192

Database	Data ID
PubChem	12639399

M. W.

216.6333864

CAS

42092-81-9

Similarity

N/A

ID: 97222

6-chloro-2,3-difluoro-4-(trifluoromethyl)aniline

$$$$ Data

M. F.

C7H3ClF5N

Suppliers	Catalog Number
Apollo Scientific	PC4194

Database	Data ID
PubChem	40427099

M. W.

231.550436

CAS

Similarity

N/A

ID: 97223

1-chloro-2-(dichloromethyl)-3,4-difluoro-5-(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H2Cl3F5

Suppliers	Catalog Number
Apollo Scientific	PC4195

Database	Data ID
PubChem	44717490

M. W.

299.452496

CAS

Similarity

N/A

ID: 97224

6-chloro-2,3-difluoro-4-(trifluoromethyl)benzaldehyde

$$$$ Data

M. F.

C8H2ClF5O

Suppliers	Catalog Number
Apollo Scientific	PC4196

Database	Data ID
PubChem	40423744

M. W.

244.545896

CAS

Similarity

N/A

ID: 97225

6-chloro-2,3-difluoro-4-(trifluoromethyl)benzoic acid

$$$$ Data

M. F.

C8H2ClF5O2

Suppliers	Catalog Number
Apollo Scientific	PC4197

Database	Data ID
PubChem	40423746

M. W.

260.545296

CAS

Similarity

N/A

ID: 97226

1-chloro-3,4-difluoro-2-(trichloromethyl)-5-(trifluoromethyl)benzene

$$$$ Data

M. F.

C8HCl4F5

Suppliers	Catalog Number
Apollo Scientific	PC4198

Database	Data ID
PubChem	44717491

M. W.

333.897556

CAS

Similarity

N/A

ID: 97227

1-chloro-2-(chloromethyl)-3,4-difluoro-5-(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H3Cl2F5

Suppliers	Catalog Number
Apollo Scientific	PC4199

Database	Data ID
PubChem	44717492

M. W.

265.007436

CAS

Similarity

N/A

ID: 97228

1-fluoropyridin-1-ium; bis(trifluoro-$l^{4}-boranyl)fluoranuide; pyridine

$$$$ Data

M. F.

C10H10B2F8N2

Suppliers	Catalog Number
Apollo Scientific	PC4201P

Database	Data ID
PubChem	0

M. W.

331.8090256

CAS

131307-35-2

Similarity

N/A

ID: 97229

1-fluoropyridin-1-ium; tetrafluoroboranuide

$$$$ Data

M. F.

C5H5BF5N

Suppliers	Catalog Number
Sigma Aldrich	377260
Apollo Scientific	PC4201U

Database	Data ID
PubChem	2733303

M. W.

184.902916

CAS

107264-09-5

Similarity

N/A

ID: 97230

2-[6-chloro-2,3-difluoro-4-(trifluoromethyl)phenyl]acetic acid

$$$$ Data

M. F.

C9H4ClF5O2

Suppliers	Catalog Number
Apollo Scientific	PC4204

Database	Data ID
PubChem	40423748

M. W.

274.571876

CAS

Similarity

N/A

ID: 97231

sodium 3-fluoro-2-oxopropanoate hydrate

$$$$ Data

M. F.

C3H4FNaO4

Suppliers	Catalog Number
Sigma Aldrich	F15307
Apollo Scientific	PC4205

Database	Data ID
PubChem	23687714

M. W.

146.0496332

CAS

345909-33-3

Similarity

N/A

ID: 97232

ethyl 2-[6-chloro-2,3-difluoro-4-(trifluoromethyl)phenyl]acetate

$$$$ Data

M. F.

C11H8ClF5O2

Suppliers	Catalog Number
Apollo Scientific	PC4206

Database	Data ID
PubChem	40423749

M. W.

302.625036

CAS

Similarity

N/A

ID: 97233

[2-chloro-3,5-difluoro-4-(trifluoromethyl)phenyl]hydrazine

$$$$ Data

M. F.

C7H4ClF5N2

Suppliers	Catalog Number
Apollo Scientific	PC4207

Database	Data ID
PubChem	14421335

M. W.

246.565076

CAS

121435-36-7

Similarity

N/A

ID: 97234

[6-chloro-2,3-difluoro-4-(trifluoromethyl)phenyl]hydrazine

$$$$ Data

M. F.

C7H4ClF5N2

Suppliers	Catalog Number
Apollo Scientific	PC4209

Database	Data ID
PubChem	14421334

M. W.

246.565076

CAS

120769-98-4

Similarity

N/A

ID: 97235

1-fluoro-1-azabicyclo[2.2.2]octan-1-ium trifluoromethanesulfonate

$$$$ Data

M. F.

C8H13F4NO3S

Suppliers	Catalog Number
Apollo Scientific	PC4210

Database	Data ID
PubChem	2737511

M. W.

279.2523328

CAS

10757-83-5

Similarity

N/A

ID: 97236

2-chloro-4-fluoro-N,N-dimethylaniline

$$$$ Data

M. F.

C8H9ClFN

Suppliers	Catalog Number
Apollo Scientific	PC4212

Database	Data ID
PubChem	40425367

M. W.

173.6151632

CAS

Similarity

N/A

ID: 97237

4-chloro-2-fluoro-N,N-dimethylaniline

$$$$ Data

M. F.

C8H9ClFN

Suppliers	Catalog Number
Apollo Scientific	PC4213

Database	Data ID
PubChem	40425368

M. W.

173.6151632

CAS

Similarity

N/A

ID: 97238

1-(3-chloro-5-fluorophenyl)ethan-1-one

$$$$ Data

M. F.

C8H6ClFO

Suppliers	Catalog Number
Alfa Aesar	H26808
Apollo Scientific	PC4214
Chemik	CHB71228

Database	Data ID
PubChem	2757531

M. W.

172.5840432

CAS

842140-52-7

Similarity

N/A

ID: 97239

2-chloro-2-fluoroacetyl chloride

$$$$ Data

M. F.

C2HCl2FO

Suppliers	Catalog Number
Apollo Scientific	PC4216

Database	Data ID
PubChem	3013861

M. W.

130.9331432

CAS

359-32-0

Similarity

N/A

ID: 97240

1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one

$$$$ Data

M. F.

C10H7F3N2O

Suppliers	Catalog Number
Alfa Aesar	B20478
Apollo Scientific	PC4217

Database	Data ID
PubChem	668302

M. W.

228.1705896

CAS

321-07-3

Similarity

N/A

ID: 97241

2-chloro-2-fluoroacetyl fluoride

$$$$ Data

M. F.

C2HClF2O

Suppliers	Catalog Number
Apollo Scientific	PC4218

Database	Data ID
PubChem	13451024

M. W.

114.4785464

CAS

359-34-2

Similarity

N/A

ID: 97242

N-[(2-chloro-4-fluorophenyl)methylidene]hydroxylamine

$$$$ Data

M. F.

C7H5ClFNO

Suppliers	Catalog Number
Apollo Scientific	PC4219

Database	Data ID
PubChem	24721362

M. W.

173.5721032

CAS

Similarity

N/A

ID: 97243

(3-chlorophenyl)(3-fluorophenyl)methanol

$$$$ Data

M. F.

C13H10ClFO

Suppliers	Catalog Number
Apollo Scientific	PC4220
Enamine	EN300-106094

Database	Data ID
PubChem	2757532

M. W.

236.6693032

CAS

Similarity

N/A

ID: 97244

(3-chlorophenyl)(4-fluorophenyl)methanol

$$$$ Data

M. F.

C13H10ClFO

Suppliers	Catalog Number
Apollo Scientific	PC4221

Database	Data ID
PubChem	2757534

M. W.

236.6693032

CAS

Similarity

N/A

ID: 97245

2-[2-(trifluoromethoxy)phenyl]aniline

$$$$ Data

M. F.

C13H10F3NO

Suppliers	Catalog Number
Apollo Scientific	PC4222

Database	Data ID
PubChem	2735953

M. W.

253.2198096

CAS

175676-54-7

Similarity

N/A

ID: 97246

3,4-bis(trifluoromethyl)aniline

$$$$ Data

M. F.

C8H5F6N

Suppliers	Catalog Number
Apollo Scientific	PC4223

Database	Data ID
PubChem	1548579

M. W.

229.1224192

CAS

2965-07-3

Similarity

N/A

ID: 97247

(3-chloro-4-fluorophenyl)(phenyl)methanol

$$$$ Data

M. F.

C13H10ClFO

Suppliers	Catalog Number
Apollo Scientific	PC4224

Database	Data ID
PubChem	2757533

M. W.

236.6693032

CAS

Similarity

N/A

ID: 97248

(3-chloro-5-fluorophenyl)(phenyl)methanol

$$$$ Data

M. F.

C13H10ClFO

Suppliers	Catalog Number
Apollo Scientific	PC4225

Database	Data ID
PubChem	2757535

M. W.

236.6693032

CAS

Similarity

N/A

ID: 97249

(4-chlorophenyl)(3-fluorophenyl)methanol

$$$$ Data

M. F.

C13H10ClFO

Suppliers	Catalog Number
Apollo Scientific	PC4226

Database	Data ID
PubChem	2757537

M. W.

236.6693032

CAS

Similarity

N/A

ID: 97250

(4-chloro-3-fluorophenyl)(phenyl)methanol

$$$$ Data

M. F.

C13H10ClFO

Suppliers	Catalog Number
Apollo Scientific	PC4227

Database	Data ID
PubChem	2757536

M. W.

236.6693032

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