Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C8H9N

Suppliers	Catalog Number
Bide Pharmatech	BD70981
A&J Pharmtech	AJA-O3825

Database	Data ID
PubChem	10351689

M. W.

119.16376

CAS

3867-18-3

Similarity

N/A

ID: 294202

1,3-thiazol-2-amine hydrochloride

$$$$ Data

M. F.

C3H5ClN2S

Suppliers	Catalog Number
Bide Pharmatech	BD70985

Database	Data ID
PubChem	80239

M. W.

136.6032

CAS

6142-05-8

Similarity

N/A

ID: 294203

2-azabicyclo[2.2.1]heptane

$$$$ Data

M. F.

C6H11N

Suppliers	Catalog Number
Bide Pharmatech	BD71025

Database	Data ID
PubChem	78963

M. W.

97.15824

CAS

279-24-3

Similarity

N/A

ID: 294204

2-(2-benzofuran-1-yl)acetic acid

$$$$ Data

M. F.

C10H8O3

Suppliers	Catalog Number
Bide Pharmatech	BD71090

Database	Data ID
PubChem	20325024

M. W.

176.16872

CAS

62119-70-4

Similarity

N/A

ID: 294205

2-(1,3-benzoxazol-2-yl)-2-methylpropanenitrile

$$$$ Data

M. F.

C11H10N2O

Suppliers	Catalog Number
Bide Pharmatech	BD71098

Database	Data ID
PubChem	34177945

M. W.

186.2099

CAS

157763-81-0

Similarity

N/A

ID: 294206

ethyl 4-(methylamino)piperidine-1-carboxylate

$$$$ Data

M. F.

C9H18N2O2

Suppliers	Catalog Number
Alfa Aesar	H50300
Bide Pharmatech	BD7110

Database	Data ID
PubChem	11063140

M. W.

186.25142

CAS

73733-69-4

Similarity

N/A

ID: 294207

tert-butyl 2-benzyl-2,8-diazaspiro[4.5]decane-8-carboxylate

$$$$ Data

M. F.

C20H30N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD71166

Database	Data ID
PubChem	23282870

M. W.

330.4644

CAS

236406-40-9

Similarity

N/A

ID: 294208

[2-(benzyloxy)phenyl]methanamine

$$$$ Data

M. F.

C14H15NO

Suppliers	Catalog Number
ChemBridge	4041412
Bide Pharmatech	BD71243

Database	Data ID
PubChem	13754432

M. W.

213.275

CAS

108289-24-3

Similarity

N/A

ID: 294209

2-bromo-1,10-phenanthroline

$$$$ Data

M. F.

C12H7BrN2

Suppliers	Catalog Number
Bide Pharmatech	BD71425

Database	Data ID
PubChem	12830247

M. W.

259.10138

CAS

22426-14-8

Similarity

N/A

ID: 294210

2-bromo-1,5-naphthyridine

$$$$ Data

M. F.

C8H5BrN2

Suppliers	Catalog Number
Bide Pharmatech	BD71438
A&J Pharmtech	AJA-O39528

Database	Data ID
PubChem	817263

M. W.

209.0427

CAS

51532-07-1

Similarity

N/A

ID: 294211

2-bromo-3-methoxyaniline

$$$$ Data

M. F.

C7H8BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD71573

Database	Data ID
PubChem	10910575

M. W.

202.04852

CAS

112970-44-2

Similarity

N/A

ID: 294212

2-bromo-3-methoxybenzoic acid

$$$$ Data

M. F.

C8H7BrO3

Suppliers	Catalog Number
Bide Pharmatech	BD71630

Database	Data ID
PubChem	145162

M. W.

231.04338

CAS

88377-29-1

Similarity

N/A

ID: 294213

2-bromo-3-nitrothiophene

$$$$ Data

M. F.

C4H2BrNO2S

Suppliers	Catalog Number
Bide Pharmatech	BD71655
A&J Pharmtech	AJA-O6535

Database	Data ID
PubChem	1201489

M. W.

208.03318

CAS

2161-96-8

Similarity

N/A

ID: 294214

6-bromo-5-nitroisoquinoline

$$$$ Data

M. F.

C9H5BrN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD7173
A&J Pharmtech	AJA-O8723 AJA-O7851 AJA-O492

Database	Data ID
PubChem	34176644

M. W.

253.0522

CAS

850197-72-7

Similarity

N/A

ID: 294215

8-bromo-5-nitroisoquinoline

$$$$ Data

M. F.

C9H5BrN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD7174
A&J Pharmtech	AJA-O5101

Database	Data ID
PubChem	18373975

M. W.

253.0522

CAS

252861-41-9

Similarity

N/A

ID: 294216

1-(2-bromo-4-hydroxyphenyl)ethan-1-one

$$$$ Data

M. F.

C8H7BrO2

Suppliers	Catalog Number
Bide Pharmatech	BD71803

Database	Data ID
PubChem	13131889

M. W.

215.04398

CAS

61791-99-9

Similarity

N/A

ID: 294217

5,8-dichloroisoquinoline

$$$$ Data

M. F.

C9H5Cl2N

Suppliers	Catalog Number
Bide Pharmatech	BD7181

Database	Data ID
PubChem	12595057

M. W.

198.0487

CAS

73075-59-9

Similarity

N/A

ID: 294218

2-bromo-4-iodo-1-methylbenzene

$$$$ Data

M. F.

C7H6BrI

Suppliers	Catalog Number
Bide Pharmatech	BD71814

Database	Data ID
PubChem	21560038

M. W.

296.93101

CAS

26670-89-3

Similarity

N/A

ID: 294219

2-bromo-4-nitrobenzaldehyde

$$$$ Data

M. F.

C7H4BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD71861

Database	Data ID
PubChem	12721027

M. W.

230.01556

CAS

5274-71-5

Similarity

N/A

ID: 294220

2-bromo-5-(bromomethyl)-1,3-thiazole

$$$$ Data

M. F.

C4H3Br2NS

Suppliers	Catalog Number
Bide Pharmatech	BD71906
A&J Pharmtech	AJA-O4840

Database	Data ID
PubChem	9816551

M. W.

256.94632

CAS

131748-91-9

Similarity

N/A

ID: 294221

6-chloro-4H-chromen-4-one

$$$$ Data

M. F.

C9H5ClO2

Suppliers	Catalog Number
Bide Pharmatech	BD7191

Database	Data ID
PubChem	601989

M. W.

180.5878

CAS

33533-99-2

Similarity

N/A

ID: 294222

1-(2-bromo-5-fluorophenyl)ethan-1-one

$$$$ Data

M. F.

C8H6BrFO

Suppliers	Catalog Number
Bide Pharmatech	BD71936

Database	Data ID
PubChem	22736080

M. W.

217.0350432

CAS

1006-33-3

Similarity

N/A

ID: 294223

(4-bromo-3-methoxyphenyl)methanol

$$$$ Data

M. F.

C8H9BrO2

Suppliers	Catalog Number
Bide Pharmatech	BD71958

Database	Data ID
PubChem	13551345

M. W.

217.05986

CAS

17100-64-0

Similarity

N/A

ID: 294224

1-bromo-4-(2-nitroethoxy)benzene

$$$$ Data

M. F.

C8H8BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD72000

Database	Data ID
PubChem	52987837

M. W.

246.05802

CAS

423165-33-7

Similarity

N/A

ID: 294225

2-bromo-6-chloroimidazo[1,2-b]pyridazine

$$$$ Data

M. F.

C6H3BrClN3

Suppliers	Catalog Number
Bide Pharmatech	BD72040

Database	Data ID
PubChem	57345831

M. W.

232.46512

CAS

944902-75-4

Similarity

N/A

ID: 294226

2-bromo-6-methylquinoline

$$$$ Data

M. F.

C10H8BrN

Suppliers	Catalog Number
Bide Pharmatech	BD72080

Database	Data ID
PubChem	818089

M. W.

222.08122

CAS

302939-86-2

Similarity

N/A

ID: 294227

2-bromo-6-tert-butylpyridine

$$$$ Data

M. F.

C9H12BrN

Suppliers	Catalog Number
Bide Pharmatech	BD72092
A&J Pharmtech	AJA-O22047

Database	Data ID
PubChem	22113415

M. W.

214.10228

CAS

195044-14-5

Similarity

N/A

ID: 294228

4-bromo-8-thiatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10...

$$$$ Data

M. F.

C12H7BrS

Suppliers	Catalog Number
Bide Pharmatech	BD72158

Database	Data ID
PubChem	299508

M. W.

263.15298

CAS

22439-61-8

Similarity

N/A

ID: 294229

methyl 6-(bromomethyl)pyridine-2-carboxylate

$$$$ Data

M. F.

C8H8BrNO2

Suppliers	Catalog Number
Bide Pharmatech	BD72220

Database	Data ID
PubChem	21471714

M. W.

230.05862

CAS

146462-25-1

Similarity

N/A

ID: 294230

2-bromonaphthalen-1-ol

$$$$ Data

M. F.

C10H7BrO

Suppliers	Catalog Number
Bide Pharmatech	BD72241
A&J Pharmtech	AJA-O1006

Database	Data ID
PubChem	150849

M. W.

223.06598

CAS

771-15-3

Similarity

N/A

ID: 294231

ethyl 2-bromopyridine-3-carboxylate

$$$$ Data

M. F.

C8H8BrNO2

Suppliers	Catalog Number
Alfa Aesar	H52335
Bide Pharmatech	BD72248

Database	Data ID
PubChem	1415877

M. W.

230.05862

CAS

53087-78-8

Similarity

N/A

ID: 294232

2-bromooctane

$$$$ Data

M. F.

C8H17Br

Suppliers	Catalog Number
Bide Pharmatech	BD72255

Database	Data ID
PubChem	79046

M. W.

193.12458

CAS

557-35-7

Similarity

N/A

ID: 294233

7-bromoisoquinolin-1-ol

$$$$ Data

M. F.

C9H6BrNO

Suppliers	Catalog Number
Alfa Aesar	L17800
Bide Pharmatech	BD7229
A&J Pharmtech	AJA-O35615

Database	Data ID
PubChem	11276133

M. W.

224.05404

CAS

223671-15-6

Similarity

N/A

ID: 294234

2-bromo-1,3-thiazole-5-carboxamide

$$$$ Data

M. F.

C4H3BrN2OS

Suppliers	Catalog Number
Bide Pharmatech	BD72327

Database	Data ID
PubChem	20328604

M. W.

207.04842

CAS

848499-31-0

Similarity

N/A

ID: 294235

(2E)-4-(acetyloxy)but-2-en-1-yl acetate

$$$$ Data

M. F.

C8H12O4

Suppliers	Catalog Number
Bide Pharmatech	BD72356

Database	Data ID
PubChem	638131

M. W.

172.17848

CAS

18621-75-5

Similarity

N/A

ID: 294236

2-butyl-1H-imidazole

$$$$ Data

M. F.

C7H12N2

Suppliers	Catalog Number
Bide Pharmatech	BD72413

Database	Data ID
PubChem	11815351

M. W.

124.18358

CAS

50790-93-7

Similarity

N/A

ID: 294237

2-(ethoxycarbonyl)-6-nitrobenzoic acid

$$$$ Data

M. F.

C10H9NO6

Suppliers	Catalog Number
Bide Pharmatech	BD72450
A&J Pharmtech	AJA-O4907

Database	Data ID
PubChem	12018928

M. W.

239.18156

CAS

16533-45-2

Similarity

N/A

ID: 294238

7-chloroisoquinolin-1-ol

$$$$ Data

M. F.

C9H6ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD7264
A&J Pharmtech	AJA-O24360

Database	Data ID
PubChem	10012505

M. W.

179.60304

CAS

24188-74-7

Similarity

N/A

ID: 294239

5-chloro-1H-indole-3-carboxylic acid

$$$$ Data

M. F.

C9H6ClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD7267
A&J Pharmtech	AJA-O17289

Database	Data ID
PubChem	17840246

M. W.

195.60244

CAS

10406-05-0

Similarity

N/A

ID: 294240

isoquinoline-5-sulfonyl chloride

$$$$ Data

M. F.

C9H6ClNO2S

Suppliers	Catalog Number
Bide Pharmatech	BD7270
A&J Pharmtech	AJA-O14141

Database	Data ID
PubChem	3371655

M. W.

227.66744

CAS

84468-15-5

Similarity

N/A

ID: 294241

2-chloro-3-ethylpyrazine

$$$$ Data

M. F.

C6H7ClN2

Suppliers	Catalog Number
Bide Pharmatech	BD72727

Database	Data ID
PubChem	113222

M. W.

142.58618

CAS

63450-95-3

Similarity

N/A

ID: 294242

2-chloro-3-iodoquinoline

$$$$ Data

M. F.

C9H5ClIN

Suppliers	Catalog Number
Bide Pharmatech	BD72769

Database	Data ID
PubChem	14616623

M. W.

289.50017

CAS

128676-85-7

Similarity

N/A

ID: 294243

2-chloro-3-methylpyridine-4-carbaldehyde

$$$$ Data

M. F.

C7H6ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD72788
A&J Pharmtech	AJA-O21292

Database	Data ID
PubChem	34180991

M. W.

155.58164

CAS

790696-96-7

Similarity

N/A

ID: 294244

ethyl 2-chloro-3-methylpyridine-4-carboxylate

$$$$ Data

M. F.

C9H10ClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD72789
A&J Pharmtech	AJA-O13353

Database	Data ID
PubChem	2762478

M. W.

199.6342

CAS

301666-92-2

Similarity

N/A

ID: 294245

3-bromo-6-chloro-2-methyl-5-nitropyridine

$$$$ Data

M. F.

C6H4BrClN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD72794

Database	Data ID
PubChem	10610778

M. W.

251.46516

CAS

186413-75-2

Similarity

N/A

ID: 294246

2-chloro-3-nitroaniline

$$$$ Data

M. F.

C6H5ClN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD72797

Database	Data ID
PubChem	14220016

M. W.

172.5691

CAS

3970-41-0

Similarity

N/A

ID: 294247

4-bromo-2-chloro-3-methylpyridine

$$$$ Data

M. F.

C6H5BrClN

Suppliers	Catalog Number
Bide Pharmatech	BD72907
A&J Pharmtech	AJA-O20837

Database	Data ID
PubChem	29919380

M. W.

206.4676

CAS

128071-86-3

Similarity

N/A

ID: 294248

2-chloro-4-phenylpyridine

$$$$ Data

M. F.

C11H8ClN

Suppliers	Catalog Number
Bide Pharmatech	BD73061
A&J Pharmtech	AJA-O5303

Database	Data ID
PubChem	2762842

M. W.

189.64092

CAS

42260-39-9

Similarity

N/A

ID: 294249

2-chloro-4-(piperidin-1-yl)pyrimidine

$$$$ Data

M. F.

C9H12ClN3

Suppliers	Catalog Number
Bide Pharmatech	BD73066
A&J Pharmtech	AJA-O35503 AJA-O19447

Database	Data ID
PubChem	224663

M. W.

197.66468

CAS

5429-00-5

Similarity

N/A

ID: 294250

2-chloro-5-fluoro-1H-1,3-benzodiazole

$$$$ Data

M. F.

C7H4ClFN2

Suppliers	Catalog Number
Bide Pharmatech	BD73161

Database	Data ID
PubChem	11615253

M. W.

170.5714632

CAS

108662-49-3

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