Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C9H9Br

Suppliers	Catalog Number
Apollo Scientific	OR01868

Database	Data ID
PubChem	137529

M. W.

197.07176

CAS

Similarity

N/A

ID: 73752

1-bromo-4-(but-3-en-1-yl)benzene

$$$$ Data

M. F.

C10H11Br

Suppliers	Catalog Number
Apollo Scientific	OR01869

Database	Data ID
PubChem	10608545

M. W.

211.09834

CAS

Similarity

N/A

ID: 73753

1-bromo-4-(2-chloroprop-2-en-1-yl)benzene

$$$$ Data

M. F.

C9H8BrCl

Suppliers	Catalog Number
Apollo Scientific	OR01870

Database	Data ID
PubChem	24721716

M. W.

231.51682

CAS

Similarity

N/A

ID: 73754

1-(2-aminoethoxy)-2-chlorobenzene

$$$$ Data More

M. F.

C8H10ClNO

Suppliers	Catalog Number
ChemBridge	4026894
Alfa Aesar	H50704
Maybridge	RF03300

Database	Data ID
PubChem	2735788

M. W.

171.6241

CAS

26378-53-0

Similarity

N/A

ID: 73755

1-bromo-4-(3-chlorobut-3-en-1-yl)benzene

$$$$ Data

M. F.

C10H10BrCl

Suppliers	Catalog Number
Apollo Scientific	OR01871

Database	Data ID
PubChem	15857531

M. W.

245.5434

CAS

Similarity

N/A

ID: 73756

1-bromo-4-(2-bromoprop-2-en-1-yl)benzene

$$$$ Data

M. F.

C9H8Br2

Suppliers	Catalog Number
Apollo Scientific	OR01872

Database	Data ID
PubChem	11011236

M. W.

275.96782

CAS

Similarity

N/A

ID: 73757

2-(4-bromobutyl)-5-nitro-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C12H11BrN2O4

Suppliers	Catalog Number
Apollo Scientific	OR018728

Database	Data ID
PubChem	2735540

M. W.

327.13074

CAS

125207-39-8

Similarity

N/A

ID: 73758

1-bromo-4-(3-bromobut-3-en-1-yl)benzene

$$$$ Data

M. F.

C10H10Br2

Suppliers	Catalog Number
Apollo Scientific	OR01873

Database	Data ID
PubChem	24721717

M. W.

289.9944

CAS

Similarity

N/A

ID: 73759

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

$$$$ Data

M. F.

C10H11Br

Suppliers	Catalog Number
Apollo Scientific	OR01874

Database	Data ID
PubChem	21186323

M. W.

211.09834

CAS

Similarity

N/A

ID: 73760

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

$$$$ Data

M. F.

C11H13Br

Suppliers	Catalog Number
Apollo Scientific	OR01875

Database	Data ID
PubChem	15013151

M. W.

225.12492

CAS

Similarity

N/A

ID: 73761

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

$$$$ Data

M. F.

C9H9Cl

Suppliers	Catalog Number
Apollo Scientific	OR01876

Database	Data ID
PubChem	576061

M. W.

152.62076

CAS

1587-07-1

Similarity

N/A

ID: 73762

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

$$$$ Data

M. F.

C10H11Cl

Suppliers	Catalog Number
Apollo Scientific	OR01877

Database	Data ID
PubChem	12036580

M. W.

166.64734

CAS

3047-25-4

Similarity

N/A

ID: 73763

1-chloro-2-(2-chloroprop-2-en-1-yl)benzene

$$$$ Data

M. F.

C9H8Cl2

Suppliers	Catalog Number
Apollo Scientific	OR01878

Database	Data ID
PubChem	24721718

M. W.

187.06582

CAS

Similarity

N/A

ID: 73764

1-chloro-2-(3-chlorobut-3-en-1-yl)benzene

$$$$ Data

M. F.

C10H10Cl2

Suppliers	Catalog Number
Apollo Scientific	OR01879

Database	Data ID
PubChem	24721719

M. W.

201.0924

CAS

Similarity

N/A

ID: 73765

4-heptylbenzoyl chloride

$$$$ Data

M. F.

C14H19ClO

Suppliers	Catalog Number
Sigma Aldrich	222054
Alfa Aesar	A11942
Apollo Scientific	OR018791

Database	Data ID
PubChem	170864

M. W.

238.75306

CAS

50606-96-7

Similarity

N/A

ID: 73766

3-tert-butyl-1-[(2,4-dichlorophenyl)methyl]-1H-pyrazole-5-carbonyl chloride

$$$$ Data

M. F.

C15H15Cl3N2O

Suppliers	Catalog Number
Apollo Scientific	OR0188

Database	Data ID
PubChem	2735665

M. W.

345.6514

CAS

306937-15-5

Similarity

N/A

ID: 73767

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

$$$$ Data

M. F.

C9H8BrCl

Suppliers	Catalog Number
Apollo Scientific	OR01880

Database	Data ID
PubChem	24721720

M. W.

231.51682

CAS

Similarity

N/A

ID: 73768

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

$$$$ Data

M. F.

C10H10BrCl

Suppliers	Catalog Number
Apollo Scientific	OR01881

Database	Data ID
PubChem	24721721

M. W.

245.5434

CAS

Similarity

N/A

ID: 73769

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

$$$$ Data

M. F.

C10H11Cl

Suppliers	Catalog Number
Apollo Scientific	OR01882

Database	Data ID
PubChem	10352060

M. W.

166.64734

CAS

Similarity

N/A

ID: 73770

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

$$$$ Data

M. F.

C11H13Cl

Suppliers	Catalog Number
Apollo Scientific	OR01883

Database	Data ID
PubChem	24721722

M. W.

180.67392

CAS

Similarity

N/A

ID: 73771

4-(benzyloxy)-3-chlorobenzaldehyde

$$$$ Data

M. F.

C14H11ClO2

Suppliers	Catalog Number
Maybridge	RH00207
Apollo Scientific	OR018832

Database	Data ID
PubChem	2735495

M. W.

246.68894

CAS

66422-84-2

Similarity

N/A

ID: 73772

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

$$$$ Data

M. F.

C9H9Cl

Suppliers	Catalog Number
Apollo Scientific	OR01884

Database	Data ID
PubChem	2757844

M. W.

152.62076

CAS

3840-17-3

Similarity

N/A

ID: 73773

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

$$$$ Data

M. F.

C10H11Cl

Suppliers	Catalog Number
Apollo Scientific	OR01885

Database	Data ID
PubChem	20755393

M. W.

166.64734

CAS

91426-46-9

Similarity

N/A

ID: 73774

3-butoxy-4-methoxybenzamide

$$$$ Data

M. F.

C12H17NO3

Suppliers	Catalog Number
Apollo Scientific	OR018852

Database	Data ID
PubChem	2735651

M. W.

223.26828

CAS

Similarity

N/A

ID: 73775

1-chloro-3-(2-chloroprop-2-en-1-yl)benzene

$$$$ Data

M. F.

C9H8Cl2

Suppliers	Catalog Number
Apollo Scientific	OR01886

Database	Data ID
PubChem	24721723

M. W.

187.06582

CAS

Similarity

N/A

ID: 73776

(2,2-diphenoxyethyl)dimethylamine

$$$$ Data

M. F.

C16H19NO2

Suppliers	Catalog Number
Apollo Scientific	OR01887

Database	Data ID
Wikipedia	Medifoxamine
PubChem	36109

M. W.

257.32756

CAS

32359-34-5

Similarity

N/A

ID: 73777

tert-butyl N-(4-bromo-2-methylphenyl)carbamate

$$$$ Data

M. F.

C12H16BrNO2

Suppliers	Catalog Number
Apollo Scientific	OR018874

Database	Data ID
PubChem	2735638

M. W.

286.16494

CAS

Similarity

N/A

ID: 73778

1-chloro-3-(3-chlorobut-3-en-1-yl)benzene

$$$$ Data

M. F.

C10H10Cl2

Suppliers	Catalog Number
Apollo Scientific	OR01888

Database	Data ID
PubChem	24721724

M. W.

201.0924

CAS

Similarity

N/A

ID: 73779

N-[3-(hydroxyimino)-2-methylbutan-2-yl]hydroxylamine; acetic acid

$$$$ Data

M. F.

C7H16N2O4

Suppliers	Catalog Number
Apollo Scientific	OR018881 OR22870

Database	Data ID
PubChem	5708681

M. W.

192.21294

CAS

306934-82-7

Similarity

N/A

ID: 73780

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

$$$$ Data

M. F.

C9H8BrCl

Suppliers	Catalog Number
Apollo Scientific	OR01889

Database	Data ID
PubChem	2756897

M. W.

231.51682

CAS

Similarity

N/A

ID: 73781

7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine

$$$$ Data

M. F.

C6H3ClN4O3

Suppliers	Catalog Number
Apollo Scientific	OR01890
InterBioScreen	BB_SC-1427

Database	Data ID
PubChem	2735302

M. W.

214.56602

CAS

Similarity

N/A

ID: 73782

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

$$$$ Data

M. F.

C10H10BrCl

Suppliers	Catalog Number
Apollo Scientific	OR01891

Database	Data ID
PubChem	24721725

M. W.

245.5434

CAS

Similarity

N/A

ID: 73783

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

$$$$ Data

M. F.

C10H11Cl

Suppliers	Catalog Number
Apollo Scientific	OR01892

Database	Data ID
PubChem	20644467

M. W.

166.64734

CAS

Similarity

N/A

ID: 73784

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

$$$$ Data

M. F.

C11H13Cl

Suppliers	Catalog Number
Apollo Scientific	OR01893

Database	Data ID
PubChem	24721726

M. W.

180.67392

CAS

Similarity

N/A

ID: 73785

2-acetyl-4-nitro-2,3-dihydro-1H-indene-1,3-dione

$$$$ Data

M. F.

C11H7NO5

Suppliers	Catalog Number
Sigma Aldrich	539805 70324
Maybridge	JFD02083
Apollo Scientific	OR018931

Database	Data ID
PubChem	2735262

M. W.

233.17698

CAS

25125-04-6

Similarity

N/A

ID: 73786

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

$$$$ Data

M. F.

C9H9Cl

Suppliers	Catalog Number
Apollo Scientific	OR01894

Database	Data ID
PubChem	11019064

M. W.

152.62076

CAS

Similarity

N/A

ID: 73787

3-(4-chlorophenyl)-4-cyano-5-(methylsulfanyl)thiophene-2-carboxylic acid

$$$$ Data

M. F.

C13H8ClNO2S2

Suppliers	Catalog Number
Maybridge	KM01185
Apollo Scientific	OR018945

Database	Data ID
PubChem	2735791

M. W.

309.79112

CAS

116525-66-7

Similarity

N/A

ID: 73788

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

$$$$ Data

M. F.

C10H11Cl

Suppliers	Catalog Number
Apollo Scientific	OR01895

Database	Data ID
PubChem	11052032

M. W.

166.64734

CAS

3047-24-3

Similarity

N/A

ID: 73789

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

$$$$ Data

M. F.

C9H8Cl2

Suppliers	Catalog Number
Apollo Scientific	OR01896

Database	Data ID
PubChem	24721727

M. W.

187.06582

CAS

Similarity

N/A

ID: 73790

1-chloro-4-(3-chlorobut-3-en-1-yl)benzene

$$$$ Data

M. F.

C10H10Cl2

Suppliers	Catalog Number
Apollo Scientific	OR01897

Database	Data ID
PubChem	24721728

M. W.

201.0924

CAS

Similarity

N/A

ID: 73791

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

$$$$ Data

M. F.

C9H8BrCl

Suppliers	Catalog Number
Apollo Scientific	OR01898

Database	Data ID
PubChem	10036892

M. W.

231.51682

CAS

93507-53-0

Similarity

N/A

ID: 73792

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

$$$$ Data

M. F.

C10H10BrCl

Suppliers	Catalog Number
Apollo Scientific	OR01899

Database	Data ID
PubChem	24721729

M. W.

245.5434

CAS

Similarity

N/A

ID: 73793

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

$$$$ Data

M. F.

C10H11Cl

Suppliers	Catalog Number
MP Biomedicals	05205591
Apollo Scientific	OR01900

Database	Data ID
PubChem	89985

M. W.

166.64734

CAS

Similarity

N/A

ID: 73794

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

$$$$ Data

M. F.

C11H13Cl

Suppliers	Catalog Number
Apollo Scientific	OR01901

Database	Data ID
PubChem	13696081

M. W.

180.67392

CAS

Similarity

N/A

ID: 73795

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

$$$$ Data

M. F.

C10H12

Suppliers	Catalog Number
Sigma Aldrich	706744
Apollo Scientific	OR01902

Database	Data ID
PubChem	15317

M. W.

132.20228

CAS

1587-04-8

Similarity

N/A

ID: 73796

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

$$$$ Data

M. F.

C11H14

Suppliers	Catalog Number
Apollo Scientific	OR01904

Database	Data ID
PubChem	18368542

M. W.

146.22886

CAS

Similarity

N/A

ID: 73797

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

$$$$ Data

M. F.

C10H11Cl

Suppliers	Catalog Number
Apollo Scientific	OR01905

Database	Data ID
PubChem	24721730

M. W.

166.64734

CAS

Similarity

N/A

ID: 73798

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

$$$$ Data

M. F.

C11H13Cl

Suppliers	Catalog Number
Apollo Scientific	OR01906

Database	Data ID
PubChem	24721731

M. W.

180.67392

CAS

Similarity

N/A

ID: 73799

tert-butyl(chloro)dimethylsilane

$$$$ Data More

M. F.

C6H15ClSi

Suppliers	Catalog Number
Sigma Aldrich	19905 190500 473464 (more...)
Alfa Aesar	A13064 B21286
Maybridge	SB01935

Database	Data ID
PubChem	28928

M. W.

150.7218

CAS

18162-48-6

Similarity

N/A

ID: 73800

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

$$$$ Data

M. F.

C10H11Br

Suppliers	Catalog Number
Apollo Scientific	OR01907

Database	Data ID
PubChem	24721732

M. W.

211.09834

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