Chembase list of 866358 unique molecular structures

1-(2,4-dimethylphenyl)-2,2,2-trifluoroethan-1-one

$$$$

M. F.

C10H9F3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35028

Database

Data ID

M. W.

202.1730696

CAS

16184-87-5

Similarity

N/A

ID: 813452

1-(2,5-dimethylphenyl)-2,2,2-trifluoroethan-1-one

$$$$

M. F.

C10H9F3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35029

Database

Data ID

M. W.

202.1730696

CAS

181828-02-4

Similarity

N/A

ID: 813453

1-(2,6-dimethylphenyl)-2,2,2-trifluoroethan-1-one

$$$$

M. F.

C10H9F3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35030

Database

Data ID

M. W.

202.1730696

CAS

121456-63-1

Similarity

N/A

ID: 813454

1-(3,4-dimethylphenyl)-2,2,2-trifluoroethan-1-one

$$$$

M. F.

C10H9F3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35031

Database

Data ID

M. W.

202.1730696

CAS

75833-26-0

Similarity

N/A

ID: 813455

1-(3,5-dimethylphenyl)-2,2,2-trifluoroethan-1-one

$$$$

M. F.

C10H9F3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35032

Database

Data ID

M. W.

202.1730696

CAS

132719-10-9

Similarity

N/A

ID: 813456

2,2,2-trifluoro-1-(3,4,5-trifluorophenyl)ethan-1-one

$$$$

M. F.

C8H2F6O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35036

Database

Data ID

M. W.

228.0912992

CAS

886369-68-2

Similarity

N/A

ID: 813457

1-(3,4-dichlorophenyl)-2,2,2-trifluoroethan-1-one

$$$$

M. F.

C8H3Cl2F3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35037

Database

Data ID

M. W.

243.0100296

CAS

125733-43-9

Similarity

N/A

ID: 813458

1-(3,5-dichlorophenyl)-2,2,2-trifluoroethan-1-one

$$$$

M. F.

C8H3Cl2F3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35038

Database

Data ID

M. W.

243.0100296

CAS

130336-16-2

Similarity

N/A

ID: 813459

1-(4-chloro-3-fluorophenyl)-2,2,2-trifluoroethan-1-one

$$$$

M. F.

C8H3ClF4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35039

Database

Data ID

M. W.

226.5554328

CAS

845823-15-6

Similarity

N/A

ID: 813460

1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethan-1-one

$$$$

M. F.

C8H3ClF4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35040

Database

Data ID

M. W.

226.5554328

CAS

845823-05-4

Similarity

N/A

ID: 813461

1-(4-bromo-3-fluorophenyl)-2,2,2-trifluoroethan-1-one

$$$$

M. F.

C8H3BrF4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35041

Database

Data ID

M. W.

271.0064328

CAS

886369-87-5

Similarity

N/A

ID: 813462

2,2,2-trifluoro-1-(5-fluoro-2-methylphenyl)ethan-1-one

$$$$

M. F.

C9H6F4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35042

Database

Data ID

M. W.

206.1369528

CAS

886369-93-3

Similarity

N/A

ID: 813463

2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethan-1-one

$$$$

M. F.

C9H6F4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35043

Database

Data ID

M. W.

206.1369528

CAS

886370-02-1

Similarity

N/A

ID: 813464

2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethan-1-one

$$$$

M. F.

C9H6F4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35044

Database

Data ID

M. W.

206.1369528

CAS

886370-05-4

Similarity

N/A

ID: 813465

2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethan-1-one

$$$$

M. F.

C9H6F4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35045

Database

Data ID

M. W.

206.1369528

CAS

845823-06-5

Similarity

N/A

ID: 813466

2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethan-1-one

$$$$

M. F.

C9H6F4O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35046

Database

Data ID

M. W.

206.1369528

CAS

845823-10-1

Similarity

N/A

ID: 813467

1-(3-chloro-4-methylphenyl)-2,2,2-trifluoroethan-1-one

$$$$

M. F.

C9H6ClF3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35047

Database

Data ID

M. W.

222.5915496

CAS

Similarity

N/A

ID: 813468

1-{2-[2-(1,3-dioxan-2-yl)ethyl]phenyl}-2,2,2-trifluoroethan-1-one

$$$$

M. F.

C14H15F3O3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35048

Database

Data ID

M. W.

288.2623096

CAS

Similarity

N/A

ID: 813469

2,2,2-trifluoro-1-(naphthalen-1-yl)ethan-1-one

$$$$

M. F.

C12H7F3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35049

Database

Data ID

M. W.

224.1785896

CAS

6500-37-4

Similarity

N/A

ID: 813470

2,2,2-trifluoro-1-(naphthalen-2-yl)ethan-1-one

$$$$

M. F.

C12H7F3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35050

Database

Data ID

M. W.

224.1785896

CAS

1800-42-6

Similarity

N/A

ID: 813471

2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethan-1-one

$$$$

M. F.

C13H9F3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35051

Database

Data ID

M. W.

254.2045696

CAS

886370-42-9

Similarity

N/A

ID: 813472

2,2,2-trifluoro-1-(4-phenylphenyl)ethan-1-one

$$$$

M. F.

C14H9F3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35053

Database

Data ID

M. W.

250.2158696

CAS

2369-31-5

Similarity

N/A

ID: 813473

2,2,2-trifluoro-1-(phenanthren-9-yl)ethan-1-one

$$$$

M. F.

C16H9F3O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35054

Database

Data ID

M. W.

274.2372696

CAS

163082-41-5

Similarity

N/A

ID: 813474

ethyl 5-(4-chlorophenyl)-5-oxopentanoate

$$$$

M. F.

C13H15ClO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35055

Database

Data ID

M. W.

254.7094

CAS

54029-03-7

Similarity

N/A

ID: 813475

(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl acetate

$$$$

M. F.

C10H17NO7

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35056

Database

Data ID

M. W.

263.24448

CAS

51449-93-5

Similarity

N/A

ID: 813476

tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

$$$$

M. F.

C10H18N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35069

Database

Data ID

M. W.

198.26212

CAS

134003-84-2

Similarity

N/A

ID: 813477

6-methyl-1,3-benzothiazole

$$$$

M. F.

C8H7NS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35071

Database

Data ID

M. W.

149.21288

CAS

2942-15-6

Similarity

N/A

ID: 813478

6-chloro-1,3-benzothiazole

$$$$

M. F.

C7H4ClNS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35072

Database

Data ID

M. W.

169.63136

CAS

2942-10-1

Similarity

N/A

ID: 813479

2-(benzylsulfanyl)pyrimidin-4-ol

$$$$

M. F.

C11H10N2OS

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35073

Database

Data ID

M. W.

218.2749

CAS

Similarity

N/A

ID: 813480

(4-phenylphenyl)hydrazine hydrochloride

$$$$

M. F.

C12H13ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35074

Database

Data ID

M. W.

220.69802

CAS

2217-77-8

Similarity

N/A

ID: 813481

methyl N-(2-phenylethyl)carbamate

$$$$

M. F.

C10H13NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35076

Database

Data ID

M. W.

179.21572

CAS

Similarity

N/A

ID: 813482

ethyl (2E)-2-cyanopent-2-enoate

$$$$

M. F.

C8H11NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35079

Database

Data ID

M. W.

153.17844

CAS

42466-67-1

Similarity

N/A

ID: 813483

N-methyl-6-nitro-1,3-benzothiazol-2-amine

$$$$

M. F.

C8H7N3O2S

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35085

Database

Data ID

M. W.

209.22508

CAS

132509-67-2

Similarity

N/A

ID: 813484

2-(2,2-dimethyloxan-4-yl)ethan-1-amine

$$$$

M. F.

C9H19NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35094

Database

Data ID

M. W.

157.25326

CAS

Similarity

N/A

ID: 813485

2,6-diamino-9H-purin-8-ol

$$$$

M. F.

C5H6N6O

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35095

Database

Data ID

M. W.

166.14074

CAS

72308-52-2

Similarity

N/A

ID: 813486

1-benzyl 2-methyl pyrrolidine-1,2-dicarboxylate

$$$$

M. F.

C14H17NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35097

Database

Data ID

M. W.

263.28908

CAS

Similarity

N/A

ID: 813487

4-methoxyquinolin-2-ol

$$$$

M. F.

C10H9NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35099

Database

Data ID

M. W.

175.18396

CAS

27667-34-1

Similarity

N/A

ID: 813488

2-methyl-1H-indole-3-carbonitrile

$$$$

M. F.

C10H8N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35102

Database

Data ID

M. W.

156.18392

CAS

51072-83-4

Similarity

N/A

ID: 813489

1-[3,5-bis(trifluoromethyl)phenyl]piperazine

$$$$

M. F.

C12H12F6N2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35105

Database

Data ID

M. W.

298.2274992

CAS

16172-96-6

Similarity

N/A

ID: 813490

7-nitro-3,4-dihydroisoquinoline

$$$$

M. F.

C9H8N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35107

Database

Data ID

M. W.

176.17202

CAS

62541-59-7

Similarity

N/A

ID: 813491

2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile hydrochloride

$$$$

M. F.

C11H13ClN2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35108

Database

Data ID

M. W.

208.68732

CAS

627098-24-2

Similarity

N/A

ID: 813492

ethyl N-{2-[(ethoxycarbonyl)amino]phenyl}carbamate

$$$$

M. F.

C12H16N2O4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35113

Database

Data ID

M. W.

252.26644

CAS

Similarity

N/A

ID: 813493

9H-carbazol-3-ol

$$$$

M. F.

C12H9NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35115

Database

Data ID

M. W.

183.20596

CAS

7384-07-8

Similarity

N/A

ID: 813494

ethyl 2-amino-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxylate

$$$$

M. F.

C12H15N3O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35121

Database

Data ID

M. W.

233.2664

CAS

132994-04-8

Similarity

N/A

ID: 813495

2-amino-3,6-difluorobenzoic acid

$$$$

M. F.

C7H5F2NO2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35132

Database

Data ID

M. W.

173.1169064

CAS

825654-54-4

Similarity

N/A

ID: 813496

4-hydroxy-5,8-dimethylquinoline-3-carboxylic acid

$$$$

M. F.

C12H11NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35139

Database

Data ID

M. W.

217.22064

CAS

303010-02-8

Similarity

N/A

ID: 813497

2,7-dimethylquinolin-4-ol

$$$$

M. F.

C11H11NO

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35145

Database

Data ID

M. W.

173.21114

CAS

15644-84-5

Similarity

N/A

ID: 813498

ethyl 8-ethyl-4-hydroxyquinoline-3-carboxylate

$$$$

M. F.

C14H15NO3

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35150

Database

Data ID

M. W.

245.2738

CAS

63136-14-1

Similarity

N/A

ID: 813499

ethyl 6-ethoxy-4-hydroxyquinoline-3-carboxylate

$$$$

M. F.

C14H15NO4

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35151

Database

Data ID

M. W.

261.2732

CAS

303121-08-6

Similarity

N/A

ID: 813500

(2S)-1-(1-benzylpiperidin-4-yl)pyrrolidine-2-carboxylic acid

$$$$

M. F.

C17H24N2O2

Suppliers	Catalog Number
A&J Pharmtech	AJA-O35159

Database

Data ID

M. W.

288.38466

CAS

669713-67-1

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