Chembase list of 866358 unique molecular structures

4-chloro-1-phenyl-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C15H10ClNO

Suppliers	Catalog Number
Apollo Scientific	OR22394
InterBioScreen	BB_SC-0326

Database	Data ID
PubChem	968913

M. W.

255.699

CAS

Similarity

N/A

ID: 79902

1-(2-hydroxy-4-nitrophenyl)ethan-1-one

$$$$ Data

M. F.

C8H7NO4

Suppliers	Catalog Number
Apollo Scientific	OR22396

Database	Data ID
PubChem	2775593

M. W.

181.14548

CAS

Similarity

N/A

ID: 79903

2,2-dibromo-1-(4-nitrophenyl)ethan-1-one

$$$$ Data

M. F.

C8H5Br2NO3

Suppliers	Catalog Number
Apollo Scientific	OR22397

Database	Data ID
PubChem	591498

M. W.

322.9382

CAS

Similarity

N/A

ID: 79904

1-(5-chloro-2-hydroxyphenyl)-3,3-dimethylbutan-1-one

$$$$ Data

M. F.

C12H15ClO2

Suppliers	Catalog Number
Apollo Scientific	OR22398

Database	Data ID
PubChem	2775596

M. W.

226.6993

CAS

Similarity

N/A

ID: 79905

1-(2-hydroxyphenyl)-2-phenoxyethan-1-one

$$$$ Data

M. F.

C14H12O3

Suppliers	Catalog Number
Apollo Scientific	OR22399

Database	Data ID
PubChem	577906

M. W.

228.24328

CAS

Similarity

N/A

ID: 79906

(3S)-1-(benzenesulfonyl)-5-methylhex-1-en-3-amine hydrochloride

$$$$ Data

M. F.

C13H20ClNO2S

Suppliers	Catalog Number
Apollo Scientific	OR2240

Database	Data ID
PubChem	45024441

M. W.

289.8214

CAS

Similarity

N/A

ID: 79907

1-(2,4-dihydroxyphenyl)-2-phenoxyethan-1-one

$$$$ Data

M. F.

C14H12O4

Suppliers	Catalog Number
Apollo Scientific	OR22400
InterBioScreen	STOCK1N-30211

Database	Data ID
PubChem	677577

M. W.

244.24268

CAS

Similarity

N/A

ID: 79908

1-(2,5-dihydroxyphenyl)propan-1-one

$$$$ Data

M. F.

C9H10O3

Suppliers	Catalog Number
Sigma Aldrich	D119229
Alfa Aesar	A12912
Apollo Scientific	OR22401

Database	Data ID
PubChem	70312

M. W.

166.1739

CAS

938-46-5

Similarity

N/A

ID: 79909

1-(5-bromo-2-hydroxyphenyl)propan-1-one

$$$$ Data

M. F.

C9H9BrO2

Suppliers	Catalog Number
Sigma Aldrich	663700
Apollo Scientific	OR22402
Enamine	EN300-08158

Database	Data ID
PubChem	736409

M. W.

229.07056

CAS

17764-93-1

Similarity

N/A

ID: 79910

1-(4-chloro-2-hydroxyphenyl)propan-1-one

$$$$ Data

M. F.

C9H9ClO2

Suppliers	Catalog Number
Apollo Scientific	OR22403

Database	Data ID
PubChem	2775599

M. W.

184.61956

CAS

1127-97-5

Similarity

N/A

ID: 79911

1-(5-chloro-2-hydroxyphenyl)propan-1-one

$$$$ Data

M. F.

C9H9ClO2

Suppliers	Catalog Number
Apollo Scientific	OR22404
Enamine	EN300-10779

Database	Data ID
PubChem	292114

M. W.

184.61956

CAS

2892-16-2

Similarity

N/A

ID: 79912

1-(3,5-dichloro-2-hydroxyphenyl)propan-1-one

$$$$ Data

M. F.

C9H8Cl2O2

Suppliers	Catalog Number
Apollo Scientific	OR22405
Enamine	EN300-08141

Database	Data ID
PubChem	736410

M. W.

219.06462

CAS

18430-74-5

Similarity

N/A

ID: 79913

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

$$$$ Data

M. F.

C9H9ClO2

Suppliers	Catalog Number
Apollo Scientific	OR22406

Database	Data ID
PubChem	2775600

M. W.

184.61956

CAS

Similarity

N/A

ID: 79914

1-(4-amino-2-hydroxyphenyl)propan-1-one

$$$$ Data

M. F.

C9H11NO2

Suppliers	Catalog Number
Apollo Scientific	OR22407

Database	Data ID
PubChem	2775601

M. W.

165.18914

CAS

Similarity

N/A

ID: 79915

1-(2-hydroxy-4-nitrophenyl)propan-1-one

$$$$ Data

M. F.

C9H9NO4

Suppliers	Catalog Number
Apollo Scientific	OR22408

Database	Data ID
PubChem	2775603

M. W.

195.17206

CAS

Similarity

N/A

ID: 79916

(2R)-4-methanesulfonyl-1-phenylbut-3-en-2-amine hydrochloride

$$$$ Data

M. F.

C11H16ClNO2S

Suppliers	Catalog Number
Apollo Scientific	OR2241

Database	Data ID
PubChem	71299282

M. W.

261.76824

CAS

Similarity

N/A

ID: 79917

1-(2-hydroxy-5-methylphenyl)-2-phenylethan-1-one

$$$$ Data

M. F.

C15H14O2

Suppliers	Catalog Number
Apollo Scientific	OR22411

Database	Data ID
PubChem	585551

M. W.

226.27046

CAS

Similarity

N/A

ID: 79918

1-(2-hydroxy-5-methoxyphenyl)-2-phenylethan-1-one

$$$$ Data

M. F.

C15H14O3

Suppliers	Catalog Number
Apollo Scientific	OR22412

Database	Data ID
PubChem	2775607

M. W.

242.26986

CAS

Similarity

N/A

ID: 79919

1-(2-hydroxy-4-methoxyphenyl)-2-phenylethan-1-one

$$$$ Data

M. F.

C15H14O3

Suppliers	Catalog Number
Apollo Scientific	OR22413

Database	Data ID
PubChem	2775609

M. W.

242.26986

CAS

Similarity

N/A

ID: 79920

4H-chromen-4-one

$$$$ Data

M. F.

C9H6O2

Suppliers	Catalog Number
Sigma Aldrich	199222
Apollo Scientific	OR22414
InterBioScreen	STOCK1N-25536

Database	Data ID
Wikipedia	Chromone
PubChem	10286

M. W.

146.14274

CAS

491-38-3

Similarity

N/A

ID: 79921

7-methoxy-4H-chromen-4-one

$$$$ Data

M. F.

C10H8O3

Suppliers	Catalog Number
Apollo Scientific	OR22415

Database	Data ID
PubChem	600605

M. W.

176.16872

CAS

Similarity

N/A

ID: 79922

methyl 4,5-dichloro-1,2-thiazole-3-carboxylate

$$$$ Data

M. F.

C5H3Cl2NO2S

Suppliers	Catalog Number
Apollo Scientific	OR22418

Database	Data ID
PubChem	1244566

M. W.

212.05382

CAS

166668-76-4

Similarity

N/A

ID: 79923

4,5-dibromothiophene-2-carboxylic acid

$$$$ Data

M. F.

C5H2Br2O2S

Suppliers	Catalog Number
Alfa Aesar	B20928
Apollo Scientific	OR22419

Database	Data ID
PubChem	80611

M. W.

285.94118

CAS

6324-10-3

Similarity

N/A

ID: 79924

(2S)-4-(benzenesulfonyl)-1-phenylbut-3-en-2-amine hydrochloride

$$$$ Data

M. F.

C16H18ClNO2S

Suppliers	Catalog Number
Apollo Scientific	OR2242

Database	Data ID
PubChem	44118850

M. W.

323.83762

CAS

Similarity

N/A

ID: 79925

3-phenyl-5-(potassiosulfanyl)-2,3-dihydro-1,3,4-thiadiazole-2-thione

$$$$ Data

M. F.

C8H5KN2S3

Suppliers	Catalog Number
Sigma Aldrich	76662
Apollo Scientific	OR22421

Database	Data ID
PubChem	2775614

M. W.

264.432

CAS

6336-51-2

Similarity

N/A

ID: 79926

ethyl 5-hydrazinyl-3-methyl-1H-pyrazole-4-carboxylate hydrochloride

$$$$ Data

M. F.

C7H13ClN4O2

Suppliers	Catalog Number
Apollo Scientific	OR22423

Database	Data ID
PubChem	2775616

M. W.

220.65672

CAS

Similarity

N/A

ID: 79927

3-bromobicyclo[3.2.1]octa-2,6-diene

$$$$ Data

M. F.

C8H9Br

Suppliers	Catalog Number
Apollo Scientific	OR22425

Database	Data ID
PubChem	2775619

M. W.

185.06106

CAS

Similarity

N/A

ID: 79928

bicyclo[2.2.2]oct-5-en-2-ylmethyl acetate

$$$$ Data

M. F.

C11H16O2

Suppliers	Catalog Number
Apollo Scientific	OR22426

Database	Data ID
PubChem	2775620

M. W.

180.24354

CAS

Similarity

N/A

ID: 79929

bicyclo[2.2.2]oct-5-en-2-ylmethanol

$$$$ Data

M. F.

C9H14O

Suppliers	Catalog Number
Apollo Scientific	OR22427

Database	Data ID
PubChem	2775622

M. W.

138.20686

CAS

Similarity

N/A

ID: 79930

N-(3,3-dimethylbutan-2-ylidene)hydroxylamine

$$$$ Data

M. F.

C6H13NO

Suppliers	Catalog Number
Sigma Aldrich	442887
Alfa Aesar	L08677
Apollo Scientific	OR22428

Database	Data ID
PubChem	9561079

M. W.

115.17352

CAS

2475-93-6

Similarity

N/A

ID: 79931

3-bromo-3-(4-nitrophenyl)prop-2-enoic acid

$$$$ Data

M. F.

C9H6BrNO4

Suppliers	Catalog Number
Apollo Scientific	OR22429

Database	Data ID
PubChem	5708638

M. W.

272.05224

CAS

Similarity

N/A

ID: 79932

N-(thian-3-ylidene)hydroxylamine

$$$$ Data

M. F.

C5H9NOS

Suppliers	Catalog Number
Apollo Scientific	OR22430

Database	Data ID
PubChem	5708639

M. W.

131.19606

CAS

Similarity

N/A

ID: 79933

1,5,6-trimethyl-1,2,3,4-tetrahydropyridin-1-ium 4-methylbenzene-1-sulfonate

$$$$ Data

M. F.

C15H22NO3S

Suppliers	Catalog Number
Apollo Scientific	OR22432

Database	Data ID
PubChem	2775628

M. W.

296.40508

CAS

Similarity

N/A

ID: 79934

bicyclo[3.2.1]octane-2,2-diol

$$$$ Data

M. F.

C8H14O2

Suppliers	Catalog Number
Apollo Scientific	OR22433

Database	Data ID
PubChem	2775631

M. W.

142.19556

CAS

Similarity

N/A

ID: 79935

3-bromo-2-(bromomethyl)propanoic acid

$$$$ Data

M. F.

C4H6Br2O2

Suppliers	Catalog Number
Sigma Aldrich	301620 16493
Alfa Aesar	A19630
Apollo Scientific	OR22434

Database	Data ID
PubChem	318915

M. W.

245.89724

CAS

41459-42-1

Similarity

N/A

ID: 79936

argentio 2-{1-[2-(argentiooxy)-2-oxoethyl]cyclohexyl}acetate

$$$$ Data

M. F.

C10H14Ag2O4

Suppliers	Catalog Number
Apollo Scientific	OR22435

Database	Data ID
PubChem	2775633

M. W.

413.95216

CAS

Similarity

N/A

ID: 79937

3,3,5-trimethylcyclohexyl formate

$$$$ Data

M. F.

C10H18O2

Suppliers	Catalog Number
Apollo Scientific	OR22436

Database	Data ID
PubChem	91182

M. W.

170.24872

CAS

Similarity

N/A

ID: 79938

2-(ethoxycarbonyl)-1-methyl-1-azabicyclo[2.2.2]octan-1-ium iodide

$$$$ Data

M. F.

C11H20INO2

Suppliers	Catalog Number
Apollo Scientific	OR22438

Database	Data ID
PubChem	112497

M. W.

325.18647

CAS

Similarity

N/A

ID: 79939

(2-cyanoethyl)dimethylazanium bromide

$$$$ Data

M. F.

C5H11BrN2

Suppliers	Catalog Number
Apollo Scientific	OR22439

Database	Data ID
PubChem	2775636

M. W.

179.05824

CAS

Similarity

N/A

ID: 79940

4-chloro-1-methyl-1H-indazole

$$$$ Data

M. F.

C8H7ClN2

Suppliers	Catalog Number
Apollo Scientific	OR2244

Database	Data ID
PubChem	19083150

M. W.

166.60758

CAS

Similarity

N/A

ID: 79941

methyl bicyclo[2.2.1]hept-5-ene-2-carboxylate

$$$$ Data

M. F.

C9H12O2

Suppliers	Catalog Number
Apollo Scientific	OR22440
Bide Pharmatech	BD21826
A&J Pharmtech	AJA-O1549

Database	Data ID
PubChem	250075

M. W.

152.19038

CAS

6203-08-3

Similarity

N/A

ID: 79942

methyl bicyclo[3.2.1]octane-6-carboxylate

$$$$ Data

M. F.

C10H16O2

Suppliers	Catalog Number
Apollo Scientific	OR22441

Database	Data ID
PubChem	2775637

M. W.

168.23284

CAS

Similarity

N/A

ID: 79943

bicyclo[2.2.1]heptane-2-carboxylic acid

$$$$ Data

M. F.

C8H12O2

Suppliers	Catalog Number
Alfa Aesar	L08439
Apollo Scientific	OR22442
Enamine	EN300-15401

Database	Data ID
PubChem	79113

M. W.

140.17968

CAS

824-62-4

Similarity

N/A

ID: 79944

4-(adamantan-1-yl)phenol

$$$$ Data

M. F.

C16H20O

Suppliers	Catalog Number
Apollo Scientific	OR22443

Database	Data ID
PubChem	269933

M. W.

228.3294

CAS

29799-07-3

Similarity

N/A

ID: 79945

5,6-dihydroxybicyclo[2.2.1]heptan-2-yl acetate

$$$$ Data

M. F.

C9H14O4

Suppliers	Catalog Number
Apollo Scientific	OR22444

Database	Data ID
PubChem	2775639

M. W.

186.20506

CAS

Similarity

N/A

ID: 79946

7-oxabicyclo[2.2.1]heptan-2-ol

$$$$ Data

M. F.

C6H10O2

Suppliers	Catalog Number
Apollo Scientific	OR22445

Database	Data ID
PubChem	2775641

M. W.

114.1424

CAS

Similarity

N/A

ID: 79947

methyl (2S,6S)-6-hydroxybicyclo[2.2.2]octane-2-carboxylate

$$$$ Data

M. F.

C10H16O3

Suppliers	Catalog Number
Apollo Scientific	OR22447

Database	Data ID
PubChem	2775644

M. W.

184.23224

CAS

Similarity

N/A

ID: 79948

methyl 2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetate

$$$$ Data

M. F.

C13H13NO2S

Suppliers	Catalog Number
Apollo Scientific	OR22448

Database	Data ID
PubChem	2775646

M. W.

247.31282

CAS

175136-29-5

Similarity

N/A

ID: 79949

(2S,3S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

$$$$ Data

M. F.

C9H10O4

Suppliers	Catalog Number
Apollo Scientific	OR22449

Database	Data ID
PubChem	71299284

M. W.

182.1733

CAS

3853-88-1

Similarity

N/A

ID: 79950

4-(4-methylphenyl)phenol

$$$$ Data

M. F.

C13H12O

Suppliers	Catalog Number
Apollo Scientific	OR22452
Enamine	EN300-08122

Database	Data ID
PubChem	1382789

M. W.

184.23378

CAS

26191-64-0

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