Chembase list of 866358 unique molecular structures

(2E)-3-(4-chlorophenyl)prop-2-enoyl chloride

$$$$ Data

M. F.

C9H6Cl2O

Suppliers	Catalog Number
Matrix Scientific	062326

Database	Data ID
PubChem	11252649

M. W.

201.04934

CAS

95602-71-4

Similarity

N/A

ID: 57152

(2E)-3-(4-fluorophenyl)prop-2-enoyl chloride

$$$$ Data

M. F.

C9H6ClFO

Suppliers	Catalog Number
Sigma Aldrich	645591
Matrix Scientific	062327

Database	Data ID
PubChem	5706471

M. W.

184.5947432

CAS

13565-08-7

Similarity

N/A

ID: 57153

(2E)-3-(4-bromophenyl)prop-2-enoyl chloride

$$$$ Data

M. F.

C9H6BrClO

Suppliers	Catalog Number
Matrix Scientific	062328

Database	Data ID
PubChem	11368587

M. W.

245.50034

CAS

Similarity

N/A

ID: 57154

(2E)-3-(4-methylphenyl)prop-2-enoyl chloride

$$$$ Data

M. F.

C10H9ClO

Suppliers	Catalog Number
Matrix Scientific	062329

Database	Data ID
PubChem	11148084

M. W.

180.63086

CAS

13565-07-6

Similarity

N/A

ID: 57155

(2E)-3-(4-methoxyphenyl)prop-2-enoyl chloride

$$$$ Data

M. F.

C10H9ClO2

Suppliers	Catalog Number
Sigma Aldrich	690457
Matrix Scientific	062330

Database	Data ID
PubChem	10976422

M. W.

196.63026

CAS

42996-84-9

Similarity

N/A

ID: 57156

(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl chloride

$$$$ Data

M. F.

C12H13ClO

Suppliers	Catalog Number
Matrix Scientific	062331

Database	Data ID
PubChem	22736719

M. W.

208.68402

CAS

Similarity

N/A

ID: 57157

(2E)-3-(4-tert-butylphenyl)prop-2-enoyl chloride

$$$$ Data

M. F.

C13H15ClO

Suppliers	Catalog Number
Matrix Scientific	062332

Database	Data ID
PubChem	15781362

M. W.

222.7106

CAS

176690-89-4

Similarity

N/A

ID: 57158

(2E)-3-(4-nitrophenyl)prop-2-enoyl chloride

$$$$ Data

M. F.

C9H6ClNO3

Suppliers	Catalog Number
Sigma Aldrich	364754
Matrix Scientific	062333

Database	Data ID
PubChem	5971362

M. W.

211.60184

CAS

61921-33-3

Similarity

N/A

ID: 57159

(2E)-3-(3-nitrophenyl)prop-2-enoyl chloride

$$$$ Data

M. F.

C9H6ClNO3

Suppliers	Catalog Number
Matrix Scientific	062334

Database	Data ID
PubChem	11063737

M. W.

211.60184

CAS

Similarity

N/A

ID: 57160

(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl chloride

$$$$ Data

M. F.

C8H7ClO2

Suppliers	Catalog Number
Matrix Scientific	062335

Database	Data ID
PubChem	13100386

M. W.

170.59298

CAS

Similarity

N/A

ID: 57161

(2E)-3-(2,4-dichlorophenyl)prop-2-enoyl chloride

$$$$ Data

M. F.

C9H5Cl3O

Suppliers	Catalog Number
Matrix Scientific	062336

Database	Data ID
PubChem	13000422

M. W.

235.4944

CAS

39175-64-9

Similarity

N/A

ID: 57162

(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl chloride

$$$$ Data

M. F.

C9H5Cl3O

Suppliers	Catalog Number
Matrix Scientific	062337

Database	Data ID
PubChem	11031851

M. W.

235.4944

CAS

39156-98-4

Similarity

N/A

ID: 57163

(2E)-3-(2,6-dichlorophenyl)prop-2-enoyl chloride

$$$$ Data

M. F.

C9H5Cl3O

Suppliers	Catalog Number
Matrix Scientific	062338

Database	Data ID
PubChem	5836164

M. W.

235.4944

CAS

Similarity

N/A

ID: 57164

(2E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl chloride

$$$$ Data

M. F.

C9H5Cl2FO

Suppliers	Catalog Number
Matrix Scientific	062339

Database	Data ID
PubChem	46779824

M. W.

219.0398032

CAS

Similarity

N/A

ID: 57165

(2E)-3-(2-methoxyphenyl)prop-2-enoyl chloride

$$$$ Data

M. F.

C10H9ClO2

Suppliers	Catalog Number
Matrix Scientific	062340
InterBioScreen	BB_SC-3123

Database	Data ID
PubChem	7061841

M. W.

196.63026

CAS

15851-91-9

Similarity

N/A

ID: 57166

(2E)-3-(naphthalen-1-yl)prop-2-enoyl chloride

$$$$ Data

M. F.

C13H9ClO

Suppliers	Catalog Number
Matrix Scientific	062341

Database	Data ID
PubChem	14295626

M. W.

216.66296

CAS

Similarity

N/A

ID: 57167

(2E)-3-(2-fluorophenyl)prop-2-enoyl chloride

$$$$ Data

M. F.

C9H6ClFO

Suppliers	Catalog Number
Matrix Scientific	062342

Database	Data ID
PubChem	5706469

M. W.

184.5947432

CAS

Similarity

N/A

ID: 57168

(2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl chloride

$$$$ Data

M. F.

C10H7ClO3

Suppliers	Catalog Number
Matrix Scientific	062343

Database	Data ID
PubChem	12275198

M. W.

210.61378

CAS

Similarity

N/A

ID: 57169

(2E)-3-(4-ethoxyphenyl)prop-2-enoyl chloride

$$$$ Data

M. F.

C11H11ClO2

Suppliers	Catalog Number
Matrix Scientific	062344

Database	Data ID
PubChem	12601823

M. W.

210.65684

CAS

Similarity

N/A

ID: 57170

(2E)-3-(2-bromophenyl)prop-2-enoyl chloride

$$$$ Data

M. F.

C9H6BrClO

Suppliers	Catalog Number
Matrix Scientific	062345

Database	Data ID
PubChem	20059742

M. W.

245.50034

CAS

Similarity

N/A

ID: 57171

(2E)-3-(2-nitrophenyl)prop-2-enoyl chloride

$$$$ Data

M. F.

C9H6ClNO3

Suppliers	Catalog Number
Matrix Scientific	062346

Database	Data ID
PubChem	12561348

M. W.

211.60184

CAS

Similarity

N/A

ID: 57172

(2E)-3-(2-methylphenyl)prop-2-enoyl chloride

$$$$ Data

M. F.

C10H9ClO

Suppliers	Catalog Number
Matrix Scientific	062347

Database	Data ID
PubChem	5706558

M. W.

180.63086

CAS

83612-52-6

Similarity

N/A

ID: 57173

pentanedihydrazide

$$$$ Data

M. F.

C5H12N4O2

Suppliers	Catalog Number
MP Biomedicals	05206165
Matrix Scientific	062348

Database	Data ID
PubChem	3958848

M. W.

160.17438

CAS

1508-67-4

Similarity

N/A

ID: 57174

heptanedihydrazide

$$$$ Data

M. F.

C7H16N4O2

Suppliers	Catalog Number
Matrix Scientific	062349

Database	Data ID
PubChem	284646

M. W.

188.22754

CAS

13043-98-6

Similarity

N/A

ID: 57175

2-(chloromethyl)imidazo[1,2-a]pyrimidine

$$$$ Data

M. F.

C7H6ClN3

Suppliers	Catalog Number
Matrix Scientific	062350
Enamine	EN300-26283

Database	Data ID
PubChem	1417908

M. W.

167.59564

CAS

57892-71-4

Similarity

N/A

ID: 57176

ethyl 2-(4-methylpiperazin-1-yl)acetate

$$$$ Data

M. F.

C9H18N2O2

Suppliers	Catalog Number
Matrix Scientific	062351
A&J Pharmtech	AJA-O35326

Database	Data ID
PubChem	206939

M. W.

186.25142

CAS

28920-67-4

Similarity

N/A

ID: 57177

ethyl 2-(azepan-1-yl)acetate

$$$$ Data

M. F.

C10H19NO2

Suppliers	Catalog Number
Matrix Scientific	062352

Database	Data ID
PubChem	22198097

M. W.

185.26336

CAS

99176-11-1

Similarity

N/A

ID: 57178

ethyl 2-(4-methylpiperazin-1-yl)propanoate

$$$$ Data

M. F.

C10H20N2O2

Suppliers	Catalog Number
Matrix Scientific	062353

Database	Data ID
PubChem	45032962

M. W.

200.278

CAS

Similarity

N/A

ID: 57179

ethyl 2-(2,6-dimethylpiperidin-1-yl)acetate

$$$$ Data

M. F.

C11H21NO2

Suppliers	Catalog Number
Matrix Scientific	062354

Database	Data ID
PubChem	22197950

M. W.

199.28994

CAS

Similarity

N/A

ID: 57180

ethyl 2-(azepan-1-yl)propanoate

$$$$ Data

M. F.

C11H21NO2

Suppliers	Catalog Number
Matrix Scientific	062355

Database	Data ID
PubChem	436209

M. W.

199.28994

CAS

Similarity

N/A

ID: 57181

methyl 6-methyl-1-benzothiophene-3-carboxylate

$$$$ Data

M. F.

C11H10O2S

Suppliers	Catalog Number
Matrix Scientific	062356

Database	Data ID
PubChem	13662970

M. W.

206.2609

CAS

Similarity

N/A

ID: 57182

(4-nitro-1H-pyrazol-1-yl)methanol

$$$$ Data

M. F.

C4H5N3O3

Suppliers	Catalog Number
Matrix Scientific	062357

Database	Data ID
PubChem	7018545

M. W.

143.1008

CAS

Similarity

N/A

ID: 57183

ethyl 4-cyanooxane-4-carboxylate

$$$$ Data

M. F.

C9H13NO3

Suppliers	Catalog Number
Matrix Scientific	062358
Enamine	EN300-36394

Database	Data ID
PubChem	22061355

M. W.

183.20442

CAS

30431-99-3

Similarity

N/A

ID: 57184

6-methyl-2,3,4,5-tetrahydropyridazin-3-one

$$$$ Data More

M. F.

C5H8N2O

Suppliers	Catalog Number
ChemBridge	3003063
Alfa Aesar	B24520
Matrix Scientific	062359

Database	Data ID
PubChem	78834

M. W.

112.12982

CAS

5157-08-4

Similarity

N/A

ID: 57185

2-oxo-2,3-dihydro-1H-indole-3-carbaldehyde

$$$$ Data

M. F.

C9H7NO2

Suppliers	Catalog Number
Matrix Scientific	062360
InterBioScreen	BB_NC-2881 STOCK1N-78911

Database	Data ID
PubChem	313655

M. W.

161.15738

CAS

78610-70-5

Similarity

N/A

ID: 57186

1-(4-chlorophenyl)piperidin-4-one

$$$$ Data More

M. F.

C11H12ClNO

Suppliers	Catalog Number
ChemBridge	4000323
Matrix Scientific	062361
Enamine	EN300-62400

Database	Data ID
PubChem	14212774

M. W.

209.67208

CAS

113759-96-9

Similarity

N/A

ID: 57187

2-methyl-2,8-diazaspiro[5.5]undecane

$$$$ Data

M. F.

C10H20N2

Suppliers	Catalog Number
ChemBridge	4002269
Matrix Scientific	062362

Database	Data ID
PubChem	3623048

M. W.

168.2792

CAS

845290-58-6

Similarity

N/A

ID: 57188

1-(2-aminoethyl)cyclopentan-1-ol

$$$$ Data

M. F.

C7H15NO

Suppliers	Catalog Number
Sigma Aldrich	CBR00021
ChemBridge	4021558
Matrix Scientific	062363

Database	Data ID
PubChem	22273129

M. W.

129.2001

CAS

859629-83-7

Similarity

N/A

ID: 57189

2-ethylmorpholine

$$$$ Data More

M. F.

C6H13NO

Suppliers	Catalog Number
ChemBridge	4018983
Matrix Scientific	062364
Enamine	EN300-29436

Database	Data ID
PubChem	14933206

M. W.

115.17352

CAS

52769-10-5

Similarity

N/A

ID: 57190

2,2-dimethylmorpholine

$$$$ Data More

M. F.

C6H13NO

Suppliers	Catalog Number
ChemBridge	4017656
Matrix Scientific	062365
Enamine	EN300-37404

Database	Data ID
PubChem	18959674

M. W.

115.17352

CAS

147688-58-2

Similarity

N/A

ID: 57191

2-(3-methoxyphenyl)piperidine

$$$$ Data

M. F.

C12H17NO

Suppliers	Catalog Number
ChemBridge	4002380
Matrix Scientific	062366

Database	Data ID
PubChem	4262759

M. W.

191.26948

CAS

383128-22-1

Similarity

N/A

ID: 57192

[3-(2-methylpropyl)piperidin-3-yl]methanol

$$$$ Data

M. F.

C10H21NO

Suppliers	Catalog Number
ChemBridge	4017651
Matrix Scientific	062367

Database	Data ID
PubChem	44827705

M. W.

171.27984

CAS

915922-54-2

Similarity

N/A

ID: 57193

1-(3-methylpyridin-2-yl)ethan-1-amine

$$$$ Data

M. F.

C8H12N2

Suppliers	Catalog Number
Sigma Aldrich	CBR00418
ChemBridge	4027822
Matrix Scientific	062368

Database	Data ID
PubChem	45791166

M. W.

136.19428

CAS

780803-63-6

Similarity

N/A

ID: 57194

4-chloro-2-(pyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine

$$$$ Data

M. F.

C9H9ClF3N3

Suppliers	Catalog Number
ChemBridge	4015980
Matrix Scientific	062369

Database	Data ID
PubChem	17999108

M. W.

251.6360696

CAS

915922-37-1

Similarity

N/A

ID: 57195

4-chloro-2-methyl-5-(propan-2-yl)pyrimidine

$$$$ Data

M. F.

C8H11ClN2

Suppliers	Catalog Number
ChemBridge	4026639
Matrix Scientific	062370

Database	Data ID
PubChem	24903698

M. W.

170.63934

CAS

1015846-31-7

Similarity

N/A

ID: 57196

1-(1-methyl-1H-imidazol-2-yl)butan-1-amine

$$$$ Data

M. F.

C8H15N3

Suppliers	Catalog Number
ChemBridge	4027177
Matrix Scientific	062371

Database	Data ID
PubChem	45791162

M. W.

153.2248

CAS

Similarity

N/A

ID: 57197

2-methyl-1-(1-methyl-1H-imidazol-2-yl)propan-1-amine

$$$$ Data

M. F.

C8H15N3

Suppliers	Catalog Number
ChemBridge	4027183
Matrix Scientific	062372
Enamine	EN300-40954

Database	Data ID
PubChem	16641494

M. W.

153.2248

CAS

927986-27-4

Similarity

N/A

ID: 57198

1-(1-methyl-1H-imidazol-2-yl)ethan-1-one

$$$$ Data

M. F.

C6H8N2O

Suppliers	Catalog Number
Matrix Scientific	062373
Enamine	EN300-77828

Database	Data ID
PubChem	14339671

M. W.

124.14052

CAS

85692-37-1

Similarity

N/A

ID: 57199

1-(3-methylpyridin-2-yl)propan-1-amine

$$$$ Data

M. F.

C9H14N2

Suppliers	Catalog Number
ChemBridge	4026905
Matrix Scientific	062374

Database	Data ID
PubChem	45791161

M. W.

150.22086

CAS

1015846-40-8

Similarity

N/A

ID: 57200

[4-(aminomethyl)oxan-4-yl]methanol

$$$$ Data

M. F.

C7H15NO2

Suppliers	Catalog Number
ChemBridge	4020264
Matrix Scientific	062375
Enamine	EN300-115011

Database	Data ID
PubChem	22379474

M. W.

145.1995

CAS

959238-22-3

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