Chembase list of 866358 unique molecular structures

1-(3-bromobut-3-en-1-yl)-2-methylbenzene

$$$$ Data

M. F.

C11H13Br

Suppliers	Catalog Number
Apollo Scientific	OR01908

Database	Data ID
PubChem	24721733

M. W.

225.12492

CAS

Similarity

N/A

ID: 73802

1-methyl-2-(2-methylprop-2-en-1-yl)benzene

$$$$ Data

M. F.

C11H14

Suppliers	Catalog Number
Apollo Scientific	OR01909

Database	Data ID
PubChem	22081253

M. W.

146.22886

CAS

Similarity

N/A

ID: 73803

N-(4-aminobutyl)-5-chloronaphthalene-1-sulfonamide hydrochloride

$$$$ Data

M. F.

C14H18Cl2N2O2S

Suppliers	Catalog Number
Sigma Aldrich	A1546
Apollo Scientific	OR0190T
TRC	A601900

Database	Data ID
PubChem	9884715

M. W.

349.27592

CAS

78957-84-3

Similarity

N/A

ID: 73804

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

$$$$ Data

M. F.

C5H7ClN4

Suppliers	Catalog Number
Maybridge	RJC03992
Apollo Scientific	OR01910
Bide Pharmatech	BD73442

Database	Data ID
PubChem	275295

M. W.

158.58888

CAS

63211-98-3

Similarity

N/A

ID: 73805

1-methyl-2-(3-methylbut-3-en-1-yl)benzene

$$$$ Data

M. F.

C12H16

Suppliers	Catalog Number
Apollo Scientific	OR01911

Database	Data ID
PubChem	18956748

M. W.

160.25544

CAS

Similarity

N/A

ID: 73806

1-methyl-3-(prop-2-en-1-yl)benzene

$$$$ Data

M. F.

C10H12

Suppliers	Catalog Number
Sigma Aldrich	706736
Apollo Scientific	OR01912

Database	Data ID
PubChem	523709

M. W.

132.20228

CAS

3333-20-8

Similarity

N/A

ID: 73807

1-(but-3-en-1-yl)-3-methylbenzene

$$$$ Data

M. F.

C11H14

Suppliers	Catalog Number
Apollo Scientific	OR01913

Database	Data ID
PubChem	18368537

M. W.

146.22886

CAS

Similarity

N/A

ID: 73808

6-amino-2,3-dichlorobenzonitrile

$$$$ Data

M. F.

C7H4Cl2N2

Suppliers	Catalog Number
Apollo Scientific	OR01914

Database	Data ID
PubChem	2735318

M. W.

187.02606

CAS

147249-41-0

Similarity

N/A

ID: 73809

1-(2-chloroprop-2-en-1-yl)-3-methylbenzene

$$$$ Data

M. F.

C10H11Cl

Suppliers	Catalog Number
Apollo Scientific	OR01915

Database	Data ID
PubChem	24721734

M. W.

166.64734

CAS

Similarity

N/A

ID: 73810

1-(3-chlorobut-3-en-1-yl)-3-methylbenzene

$$$$ Data

M. F.

C11H13Cl

Suppliers	Catalog Number
Apollo Scientific	OR01916

Database	Data ID
PubChem	24721735

M. W.

180.67392

CAS

Similarity

N/A

ID: 73811

3-(methylsulfanyl)-4H-1,2,4-triazole

$$$$ Data

M. F.

C3H5N3S

Suppliers	Catalog Number
Apollo Scientific	OR019167

Database	Data ID
PubChem	575378

M. W.

115.1569

CAS

7411-18-9

Similarity

N/A

ID: 73812

1-(2-bromoprop-2-en-1-yl)-3-methylbenzene

$$$$ Data

M. F.

C10H11Br

Suppliers	Catalog Number
Apollo Scientific	OR01917

Database	Data ID
PubChem	2757068

M. W.

211.09834

CAS

Similarity

N/A

ID: 73813

1-(3-bromobut-3-en-1-yl)-3-methylbenzene

$$$$ Data

M. F.

C11H13Br

Suppliers	Catalog Number
Apollo Scientific	OR01918

Database	Data ID
PubChem	24721736

M. W.

225.12492

CAS

Similarity

N/A

ID: 73814

1-methyl-3-(2-methylprop-2-en-1-yl)benzene

$$$$ Data

M. F.

C11H14

Suppliers	Catalog Number
Apollo Scientific	OR01919

Database	Data ID
PubChem	24721737

M. W.

146.22886

CAS

Similarity

N/A

ID: 73815

1-methyl-3-(3-methylbut-3-en-1-yl)benzene

$$$$ Data

M. F.

C12H16

Suppliers	Catalog Number
Apollo Scientific	OR01920

Database	Data ID
PubChem	18956755

M. W.

160.25544

CAS

Similarity

N/A

ID: 73816

2-amino-4,5-dimethylfuran-3-carbonitrile

$$$$ Data

M. F.

C7H8N2O

Suppliers	Catalog Number
Sigma Aldrich	451991
Apollo Scientific	OR01921
Enamine	EN300-15329

Database	Data ID
PubChem	290220

M. W.

136.15122

CAS

5117-88-4

Similarity

N/A

ID: 73817

1-methyl-4-(prop-2-en-1-yl)benzene

$$$$ Data

M. F.

C10H12

Suppliers	Catalog Number
Sigma Aldrich	706728
Apollo Scientific	OR01922

Database	Data ID
PubChem	76851

M. W.

132.20228

CAS

3333-13-9

Similarity

N/A

ID: 73818

1-(but-3-en-1-yl)-4-methylbenzene

$$$$ Data

M. F.

C11H14

Suppliers	Catalog Number
Apollo Scientific	OR01923

Database	Data ID
PubChem	13240698

M. W.

146.22886

CAS

Similarity

N/A

ID: 73819

1-(2-chloroprop-2-en-1-yl)-4-methylbenzene

$$$$ Data

M. F.

C10H11Cl

Suppliers	Catalog Number
Apollo Scientific	OR01924

Database	Data ID
PubChem	20528084

M. W.

166.64734

CAS

Similarity

N/A

ID: 73820

1-(3-chlorobut-3-en-1-yl)-4-methylbenzene

$$$$ Data

M. F.

C11H13Cl

Suppliers	Catalog Number
Apollo Scientific	OR01925

Database	Data ID
PubChem	24721738

M. W.

180.67392

CAS

Similarity

N/A

ID: 73821

1-{6-methoxy-7-methyl-6H-[1,2,5]oxadiazolo[3,4-e]indol-8-yl}ethan-1-one

$$$$ Data

M. F.

C12H11N3O3

Suppliers	Catalog Number
Apollo Scientific	OR01926

Database	Data ID
PubChem	657659

M. W.

245.23404

CAS

Similarity

N/A

ID: 73822

1-(4-bromophenyl)propan-1-one

$$$$ Data More

M. F.

C9H9BrO

Suppliers	Catalog Number
Sigma Aldrich	B79706
Alfa Aesar	A14349
Apollo Scientific	OR019268

Database	Data ID
PubChem	66312

M. W.

213.07116

CAS

10342-83-3

Similarity

N/A

ID: 73823

1-(2-bromoprop-2-en-1-yl)-4-methylbenzene

$$$$ Data

M. F.

C10H11Br

Suppliers	Catalog Number
Apollo Scientific	OR01927

Database	Data ID
PubChem	24721739

M. W.

211.09834

CAS

Similarity

N/A

ID: 73824

1-(3-bromobut-3-en-1-yl)-4-methylbenzene

$$$$ Data

M. F.

C11H13Br

Suppliers	Catalog Number
Apollo Scientific	OR01928

Database	Data ID
PubChem	24721740

M. W.

225.12492

CAS

Similarity

N/A

ID: 73825

1-methyl-4-(2-methylprop-2-en-1-yl)benzene

$$$$ Data

M. F.

C11H14

Suppliers	Catalog Number
Apollo Scientific	OR01929

Database	Data ID
PubChem	11126417

M. W.

146.22886

CAS

Similarity

N/A

ID: 73826

1-carbamimidamido-N-(2,4-dichlorophenyl)methanimidamide hydrochloride

$$$$ Data

M. F.

C8H10Cl3N5

Suppliers	Catalog Number
Sigma Aldrich	637777
Apollo Scientific	OR0193

Database	Data ID
PubChem	16217744

M. W.

282.5575

CAS

101252-14-6

Similarity

N/A

ID: 73827

1-methyl-4-(3-methylbut-3-en-1-yl)benzene

$$$$ Data

M. F.

C12H16

Suppliers	Catalog Number
Apollo Scientific	OR01930

Database	Data ID
PubChem	570908

M. W.

160.25544

CAS

Similarity

N/A

ID: 73828

2-chloro-1-methyl-4-(prop-2-en-1-yl)benzene

$$$$ Data

M. F.

C10H11Cl

Suppliers	Catalog Number
Apollo Scientific	OR01931

Database	Data ID
PubChem	19987008

M. W.

166.64734

CAS

Similarity

N/A

ID: 73829

2-chloro-4-(2-chloroprop-2-en-1-yl)-1-methylbenzene

$$$$ Data

M. F.

C10H10Cl2

Suppliers	Catalog Number
Apollo Scientific	OR01932

Database	Data ID
PubChem	24721743

M. W.

201.0924

CAS

Similarity

N/A

ID: 73830

4-(2-bromoprop-2-en-1-yl)-2-chloro-1-methylbenzene

$$$$ Data

M. F.

C10H10BrCl

Suppliers	Catalog Number
Apollo Scientific	OR01933

Database	Data ID
PubChem	24721744

M. W.

245.5434

CAS

Similarity

N/A

ID: 73831

2-chloro-1-methyl-4-(2-methylprop-2-en-1-yl)benzene

$$$$ Data

M. F.

C11H13Cl

Suppliers	Catalog Number
Apollo Scientific	OR01934

Database	Data ID
PubChem	24721745

M. W.

180.67392

CAS

Similarity

N/A

ID: 73832

2-(prop-2-en-1-yl)benzonitrile

$$$$ Data

M. F.

C10H9N

Suppliers	Catalog Number
Apollo Scientific	OR01935

Database	Data ID
PubChem	13411609

M. W.

143.18516

CAS

Similarity

N/A

ID: 73833

2-(but-3-en-1-yl)benzonitrile

$$$$ Data

M. F.

C11H11N

Suppliers	Catalog Number
Apollo Scientific	OR01936

Database	Data ID
PubChem	14381058

M. W.

157.21174

CAS

Similarity

N/A

ID: 73834

2-(2-chloroprop-2-en-1-yl)benzonitrile

$$$$ Data

M. F.

C10H8ClN

Suppliers	Catalog Number
Apollo Scientific	OR01937

Database	Data ID
PubChem	24721748

M. W.

177.63022

CAS

Similarity

N/A

ID: 73835

2-(3-chlorobut-3-en-1-yl)benzonitrile

$$$$ Data

M. F.

C11H10ClN

Suppliers	Catalog Number
Apollo Scientific	OR01938

Database	Data ID
PubChem	24721749

M. W.

191.6568

CAS

Similarity

N/A

ID: 73836

1-carbamimidamido-N-(2,6-dichlorophenyl)methanimidamide hydrochloride

$$$$ Data

M. F.

C8H10Cl3N5

Suppliers	Catalog Number
Sigma Aldrich	572209
Apollo Scientific	OR01940

Database	Data ID
PubChem	16213867

M. W.

282.5575

CAS

42823-15-4

Similarity

N/A

ID: 73837

2-(3-bromobut-3-en-1-yl)benzonitrile

$$$$ Data

M. F.

C11H10BrN

Suppliers	Catalog Number
Apollo Scientific	OR01941

Database	Data ID
PubChem	24721753

M. W.

236.1078

CAS

Similarity

N/A

ID: 73838

2-(2-methylprop-2-en-1-yl)benzonitrile

$$$$ Data

M. F.

C11H11N

Suppliers	Catalog Number
Apollo Scientific	OR01942

Database	Data ID
PubChem	13411610

M. W.

157.21174

CAS

Similarity

N/A

ID: 73839

2-(3-methylbut-3-en-1-yl)benzonitrile

$$$$ Data

M. F.

C12H13N

Suppliers	Catalog Number
Apollo Scientific	OR01943

Database	Data ID
PubChem	24721755

M. W.

171.23832

CAS

731772-68-2

Similarity

N/A

ID: 73840

1-chloro-2-methyl-4-(prop-2-en-1-yl)benzene

$$$$ Data

M. F.

C10H11Cl

Suppliers	Catalog Number
Apollo Scientific	OR01944

Database	Data ID
PubChem	2757698

M. W.

166.64734

CAS

Similarity

N/A

ID: 73841

1-chloro-4-(2-chloroprop-2-en-1-yl)-2-methylbenzene

$$$$ Data

M. F.

C10H10Cl2

Suppliers	Catalog Number
Apollo Scientific	OR01945

Database	Data ID
PubChem	24721756

M. W.

201.0924

CAS

Similarity

N/A

ID: 73842

4-(2-bromoprop-2-en-1-yl)-1-chloro-2-methylbenzene

$$$$ Data

M. F.

C10H10BrCl

Suppliers	Catalog Number
Apollo Scientific	OR01946

Database	Data ID
PubChem	2756889

M. W.

245.5434

CAS

Similarity

N/A

ID: 73843

1-chloro-2-methyl-4-(2-methylprop-2-en-1-yl)benzene

$$$$ Data

M. F.

C11H13Cl

Suppliers	Catalog Number
Apollo Scientific	OR01947

Database	Data ID
PubChem	24721757

M. W.

180.67392

CAS

Similarity

N/A

ID: 73844

1-methoxy-2-methyl-4-(prop-2-en-1-yl)benzene

$$$$ Data

M. F.

C11H14O

Suppliers	Catalog Number
Apollo Scientific	OR01948

Database	Data ID
PubChem	24721758

M. W.

162.22826

CAS

Similarity

N/A

ID: 73845

4-(2-chloroprop-2-en-1-yl)-1-methoxy-2-methylbenzene

$$$$ Data

M. F.

C11H13ClO

Suppliers	Catalog Number
Apollo Scientific	OR01950

Database	Data ID
PubChem	24721759

M. W.

196.67332

CAS

Similarity

N/A

ID: 73846

4-(2-bromoprop-2-en-1-yl)-1-methoxy-2-methylbenzene

$$$$ Data

M. F.

C11H13BrO

Suppliers	Catalog Number
Apollo Scientific	OR01951

Database	Data ID
PubChem	24721760

M. W.

241.12432

CAS

Similarity

N/A

ID: 73847

1-methoxy-2-methyl-4-(2-methylprop-2-en-1-yl)benzene

$$$$ Data

M. F.

C12H16O

Suppliers	Catalog Number
Apollo Scientific	OR01952

Database	Data ID
PubChem	24721761

M. W.

176.25484

CAS

Similarity

N/A

ID: 73848

2-(2-bromoprop-2-en-1-yl)benzonitrile

$$$$ Data

M. F.

C10H8BrN

Suppliers	Catalog Number
Apollo Scientific	OR01953

Database	Data ID
PubChem	24721752

M. W.

222.08122

CAS

Similarity

N/A

ID: 73849

methyl 3-amino-2-hydroxybenzoate

$$$$ Data More

M. F.

C8H9NO3

Suppliers	Catalog Number
Alfa Aesar	H33035
Maybridge	MAY00290
Apollo Scientific	OR01954

Database	Data ID
PubChem	12782444

M. W.

167.16196

CAS

35748-34-6

Similarity

N/A

ID: 73850

ethyl 5-chloroimidazo[1,2-a]pyridine-2-carboxylate

$$$$ Data

M. F.

C10H9ClN2O2

Suppliers	Catalog Number
Alfa Aesar	H35393
Apollo Scientific	OR01955

Database	Data ID
PubChem	12428959

M. W.

224.64366

CAS

67625-36-9

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