Chembase list of 866358 unique molecular structures

3-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]-1H-pyrazole-5-carbonyl chloride

$$$$ Data

M. F.

C18H23ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR018252

Database	Data ID
PubChem	2735698

M. W.

318.84102

CAS

Similarity

N/A

ID: 73702

ethyl 7-methyloct-7-enoate

$$$$ Data

M. F.

C11H20O2

Suppliers	Catalog Number
Apollo Scientific	OR01826

Database	Data ID
PubChem	24721709

M. W.

184.2753

CAS

Similarity

N/A

ID: 73703

ethyl 8-methylnon-8-enoate

$$$$ Data

M. F.

C12H22O2

Suppliers	Catalog Number
Apollo Scientific	OR01827

Database	Data ID
PubChem	24721710

M. W.

198.30188

CAS

Similarity

N/A

ID: 73704

hept-1-ene

$$$$ Data More

M. F.

C7H14

Suppliers	Catalog Number
Sigma Aldrich	H3208 262269 51858 (more...)
MP Biomedicals	05202567
Alfa Aesar	L11487

Database	Data ID
Wikipedia	Heptene
PubChem	11610

M. W.

98.18606

CAS

592-76-7

Similarity

N/A

ID: 73705

6-chloro-2-(piperazin-1-yl)-1,3-benzothiazole

$$$$ Data

M. F.

C11H12ClN3S

Suppliers	Catalog Number
Apollo Scientific	OR018290
Life Chemicals	F2146-0078

Database	Data ID
PubChem	2746595

M. W.

253.75108

CAS

153025-29-7

Similarity

N/A

ID: 73706

oct-1-ene

$$$$ Data More

M. F.

C8H16

Suppliers	Catalog Number
Sigma Aldrich	O4806 W429300 74902 (more...)
MP Biomedicals	02155972
Alfa Aesar	A11146

Database	Data ID
Wikipedia	1-Octene
PubChem	8125

M. W.

112.21264

CAS

111-66-0

Similarity

N/A

ID: 73707

5-(4-tert-butylphenyl)-1,3,4-oxadiazole-2-thiol

$$$$ Data More

M. F.

C12H14N2OS

Suppliers	Catalog Number
Alfa Aesar	H33113
Apollo Scientific	OR018303
Life Chemicals	F2146-0017

Database	Data ID
PubChem	690198

M. W.

234.31736

CAS

306936-90-3

Similarity

N/A

ID: 73708

1-(oxiran-2-yl)ethan-1-one

$$$$ Data

M. F.

C4H6O2

Suppliers	Catalog Number
Apollo Scientific	OR01831

Database	Data ID
PubChem	20429

M. W.

86.08924

CAS

Similarity

N/A

ID: 73709

non-1-ene

$$$$ Data

M. F.

C9H18

Suppliers	Catalog Number
Sigma Aldrich	N30404 74323 74320
Apollo Scientific	OR01832

Database	Data ID
Wikipedia	Nonene
PubChem	31285

M. W.

126.23922

CAS

124-11-8

Similarity

N/A

ID: 73710

N-{8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene}hydroxylamine hydrochloride

$$$$ Data

M. F.

C8H15ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR018323

Database	Data ID
PubChem	2737441

M. W.

190.6705

CAS

212079-30-6

Similarity

N/A

ID: 73711

dec-1-ene

$$$$ Data More

M. F.

C10H20

Suppliers	Catalog Number
Sigma Aldrich	D3161 30650 D1807 (more...)
MP Biomedicals	05202876
Alfa Aesar	L06800 31213

Database	Data ID
Wikipedia	Decene
PubChem	13381

M. W.

140.2658

CAS

872-05-9

Similarity

N/A

ID: 73712

undec-1-ene

$$$$ Data

M. F.

C11H22

Suppliers	Catalog Number
Sigma Aldrich	242527 94138
MP Biomedicals	02158238
Apollo Scientific	OR01835

Database	Data ID
PubChem	13190

M. W.

154.29238

CAS

821-95-4

Similarity

N/A

ID: 73713

dodec-1-ene

$$$$ Data More

M. F.

C12H24

Suppliers	Catalog Number
Sigma Aldrich	D221600 44148 44146 (more...)
MP Biomedicals	05213358
Alfa Aesar	A14992

Database	Data ID
Wikipedia	1-Dodecene
PubChem	8183

M. W.

168.31896

CAS

112-41-4

Similarity

N/A

ID: 73714

2-chlorohept-1-ene

$$$$ Data

M. F.

C7H13Cl

Suppliers	Catalog Number
Apollo Scientific	OR01837

Database	Data ID
PubChem	14092643

M. W.

132.63112

CAS

Similarity

N/A

ID: 73715

2-chlorooct-1-ene

$$$$ Data

M. F.

C8H15Cl

Suppliers	Catalog Number
Apollo Scientific	OR01838

Database	Data ID
PubChem	12555710

M. W.

146.6577

CAS

Similarity

N/A

ID: 73716

2-chloronon-1-ene

$$$$ Data

M. F.

C9H17Cl

Suppliers	Catalog Number
Apollo Scientific	OR01839

Database	Data ID
PubChem	12469122

M. W.

160.68428

CAS

Similarity

N/A

ID: 73717

2-chlorodec-1-ene

$$$$ Data

M. F.

C10H19Cl

Suppliers	Catalog Number
Apollo Scientific	OR01840

Database	Data ID
PubChem	11263794

M. W.

174.71086

CAS

Similarity

N/A

ID: 73718

2-chloroundec-1-ene

$$$$ Data

M. F.

C11H21Cl

Suppliers	Catalog Number
Apollo Scientific	OR01841

Database	Data ID
PubChem	12555709

M. W.

188.73744

CAS

Similarity

N/A

ID: 73719

5-tert-butyl-2-methyl-1-[2-(methylsulfanyl)ethyl]-1H-pyrrole-3-carboxylic acid

$$$$ Data

M. F.

C13H21NO2S

Suppliers	Catalog Number
Apollo Scientific	OR018417

Database	Data ID
PubChem	2735679

M. W.

255.37634

CAS

Similarity

N/A

ID: 73720

2-chlorododec-1-ene

$$$$ Data

M. F.

C12H23Cl

Suppliers	Catalog Number
Apollo Scientific	OR01842

Database	Data ID
PubChem	13301827

M. W.

202.76402

CAS

Similarity

N/A

ID: 73721

2-bromohept-1-ene

$$$$ Data

M. F.

C7H13Br

Suppliers	Catalog Number
Apollo Scientific	OR01843

Database	Data ID
PubChem	11116593

M. W.

177.08212

CAS

Similarity

N/A

ID: 73722

ethyl 5-(4-chlorophenyl)-4-(chlorosulfonyl)-2-methylfuran-3-carboxylate

$$$$ Data

M. F.

C14H12Cl2O5S

Suppliers	Catalog Number
Apollo Scientific	OR018431

Database	Data ID
PubChem	2736389

M. W.

363.21308

CAS

Similarity

N/A

ID: 73723

2-bromooct-1-ene

$$$$ Data

M. F.

C8H15Br

Suppliers	Catalog Number
Apollo Scientific	OR01844

Database	Data ID
PubChem	12389616

M. W.

191.1087

CAS

Similarity

N/A

ID: 73724

2-bromonon-1-ene

$$$$ Data

M. F.

C9H17Br

Suppliers	Catalog Number
Apollo Scientific	OR01845

Database	Data ID
PubChem	2757086

M. W.

205.13528

CAS

Similarity

N/A

ID: 73725

2-bromodec-1-ene

$$$$ Data

M. F.

C10H19Br

Suppliers	Catalog Number
Apollo Scientific	OR01846

Database	Data ID
PubChem	2756900

M. W.

219.16186

CAS

Similarity

N/A

ID: 73726

tert-butyl N-[(4-butyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]carbamate

$$$$ Data

M. F.

C12H22N4O2S

Suppliers	Catalog Number
Apollo Scientific	OR01847

Database	Data ID
PubChem	2735633

M. W.

286.39368

CAS

Similarity

N/A

ID: 73727

2-bromoundec-1-ene

$$$$ Data

M. F.

C11H21Br

Suppliers	Catalog Number
Apollo Scientific	OR01848

Database	Data ID
PubChem	2757201

M. W.

233.18844

CAS

Similarity

N/A

ID: 73728

2-bromododec-1-ene

$$$$ Data

M. F.

C12H23Br

Suppliers	Catalog Number
Apollo Scientific	OR01849

Database	Data ID
PubChem	2756960

M. W.

247.21502

CAS

Similarity

N/A

ID: 73729

2-methylhept-1-ene

$$$$ Data

M. F.

C8H16

Suppliers	Catalog Number
Sigma Aldrich	111058 67270
MP Biomedicals	05206703
Apollo Scientific	OR01850

Database	Data ID
PubChem	27519

M. W.

112.21264

CAS

15870-10-7

Similarity

N/A

ID: 73730

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

$$$$ Data

M. F.

C11H9N3O3

Suppliers	Catalog Number
Apollo Scientific	OR018500

Database	Data ID
PubChem	703708

M. W.

231.20746

CAS

Similarity

N/A

ID: 73731

4-amino-1-hydroxy-5,5-dimethyl-2-phenyl-2,5-dihydro-1H-imidazol-3-ium-3-olate

$$$$ Data

M. F.

C11H15N3O2

Suppliers	Catalog Number
Apollo Scientific	OR01851

Database	Data ID
PubChem	2735323

M. W.

221.2557

CAS

Similarity

N/A

ID: 73732

2-methyloct-1-ene

$$$$ Data

M. F.

C9H18

Suppliers	Catalog Number
MP Biomedicals	05225244
Apollo Scientific	OR01852

Database	Data ID
PubChem	78335

M. W.

126.23922

CAS

4588-18-5

Similarity

N/A

ID: 73733

2-methylnon-1-ene

$$$$ Data

M. F.

C10H20

Suppliers	Catalog Number
Sigma Aldrich	129410
Apollo Scientific	OR01853

Database	Data ID
PubChem	137784

M. W.

140.2658

CAS

2980-71-4

Similarity

N/A

ID: 73734

2-methyldec-1-ene

$$$$ Data

M. F.

C11H22

Suppliers	Catalog Number
Apollo Scientific	OR01854

Database	Data ID
PubChem	518718

M. W.

154.29238

CAS

Similarity

N/A

ID: 73735

2-methylundec-1-ene

$$$$ Data

M. F.

C12H24

Suppliers	Catalog Number
Sigma Aldrich	101370
MP Biomedicals	05210669
Apollo Scientific	OR01855

Database	Data ID
PubChem	87689

M. W.

168.31896

CAS

18516-37-5

Similarity

N/A

ID: 73736

ethyl 3,5-dichloro-4-propoxybenzoate

$$$$ Data

M. F.

C12H14Cl2O3

Suppliers	Catalog Number
Apollo Scientific	OR018551

Database	Data ID
PubChem	2737442

M. W.

277.14376

CAS

Similarity

N/A

ID: 73737

2-methyldodec-1-ene

$$$$ Data

M. F.

C13H26

Suppliers	Catalog Number
Apollo Scientific	OR01856

Database	Data ID
PubChem	519267

M. W.

182.34554

CAS

Similarity

N/A

ID: 73738

1-bromo-2-(but-3-en-1-yl)benzene

$$$$ Data

M. F.

C10H11Br

Suppliers	Catalog Number
Sigma Aldrich	586854
Apollo Scientific	OR01857

Database	Data ID
PubChem	3485712

M. W.

211.09834

CAS

71813-50-8

Similarity

N/A

ID: 73739

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

$$$$ Data

M. F.

C10H11Br

Suppliers	Catalog Number
Apollo Scientific	OR01858

Database	Data ID
PubChem	11031118

M. W.

211.09834

CAS

Similarity

N/A

ID: 73740

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

$$$$ Data

M. F.

C11H13Br

Suppliers	Catalog Number
Sigma Aldrich	633585
Apollo Scientific	OR01859

Database	Data ID
PubChem	14784488

M. W.

225.12492

CAS

130955-17-8

Similarity

N/A

ID: 73741

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

$$$$ Data

M. F.

C9H9Br

Suppliers	Catalog Number
Apollo Scientific	OR01860

Database	Data ID
PubChem	12407132

M. W.

197.07176

CAS

18257-89-1

Similarity

N/A

ID: 73742

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

$$$$ Data

M. F.

C10H11Br

Suppliers	Catalog Number
Apollo Scientific	OR01861

Database	Data ID
PubChem	15725165

M. W.

211.09834

CAS

Similarity

N/A

ID: 73743

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

$$$$ Data

M. F.

C9H8BrCl

Suppliers	Catalog Number
Apollo Scientific	OR01862

Database	Data ID
PubChem	24721711

M. W.

231.51682

CAS

Similarity

N/A

ID: 73744

2-[4-(1,3-dithiolan-2-yl)phenoxy]-N'-hydroxyethanimidamide

$$$$ Data

M. F.

C11H14N2O2S2

Suppliers	Catalog Number
Apollo Scientific	OR018627

Database	Data ID
PubChem	9580373

M. W.

270.37106

CAS

Similarity

N/A

ID: 73745

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

$$$$ Data

M. F.

C10H10BrCl

Suppliers	Catalog Number
Apollo Scientific	OR01863

Database	Data ID
PubChem	24721712

M. W.

245.5434

CAS

Similarity

N/A

ID: 73746

1-bromo-3-(2-bromoprop-2-en-1-yl)benzene

$$$$ Data

M. F.

C9H8Br2

Suppliers	Catalog Number
Apollo Scientific	OR01864

Database	Data ID
PubChem	24721713

M. W.

275.96782

CAS

Similarity

N/A

ID: 73747

3-[(2-chlorophenyl)amino]propanoic acid

$$$$ Data

M. F.

C9H10ClNO2

Suppliers	Catalog Number
Apollo Scientific	OR018649
A&J Pharmtech	AJA-O40176

Database	Data ID
PubChem	2735712

M. W.

199.6342

CAS

21617-10-7

Similarity

N/A

ID: 73748

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

$$$$ Data

M. F.

C10H10Br2

Suppliers	Catalog Number
Apollo Scientific	OR01865

Database	Data ID
PubChem	24721714

M. W.

289.9944

CAS

Similarity

N/A

ID: 73749

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

$$$$ Data

M. F.

C10H11Br

Suppliers	Catalog Number
Apollo Scientific	OR01866

Database	Data ID
PubChem	24721715

M. W.

211.09834

CAS

Similarity

N/A

ID: 73750

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

$$$$ Data

M. F.

C11H13Br

Suppliers	Catalog Number
Apollo Scientific	OR01867

Database	Data ID
PubChem	13297006

M. W.

225.12492

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