Chembase list of 866358 unique molecular structures

1-(4-chlorobenzenesulfonyl)-3-methylpiperidine

$$$$ Data

M. F.

C12H16ClNO2S

Suppliers	Catalog Number
Alfa Aesar	H55195

Database	Data ID
PubChem	2842964

M. W.

273.77894

CAS

Similarity

N/A

ID: 299052

[2-fluoro-4-(propoxycarbonyl)phenyl]boronic acid

$$$$ Data

M. F.

C10H12BFO4

Suppliers	Catalog Number
Alfa Aesar	H55197

Database	Data ID
PubChem	73996097

M. W.

226.0092832

CAS

Similarity

N/A

ID: 299053

[2-fluoro-4-(4-methylpiperidine-1-carbonyl)phenyl]boronic acid

$$$$ Data

M. F.

C13H17BFNO3

Suppliers	Catalog Number
Alfa Aesar	H55198

Database	Data ID
PubChem	73996098

M. W.

265.0883832

CAS

Similarity

N/A

ID: 299054

1-(4-chlorobenzenesulfonyl)-4-methylpiperidine

$$$$ Data

M. F.

C12H16ClNO2S

Suppliers	Catalog Number
Alfa Aesar	H55199

Database	Data ID
PubChem	310129

M. W.

273.77894

CAS

Similarity

N/A

ID: 299055

(2-chloro-4-{[(4-methoxyphenyl)methyl]carbamoyl}phenyl)boronic acid

$$$$ Data

M. F.

C15H15BClNO4

Suppliers	Catalog Number
Alfa Aesar	H55200

Database	Data ID
PubChem	73996099

M. W.

319.5479

CAS

Similarity

N/A

ID: 299056

{2-chloro-4-[(2-methyl-4-nitrophenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C14H12BClN2O5

Suppliers	Catalog Number
Alfa Aesar	H55202

Database	Data ID
PubChem	73996100

M. W.

334.51948

CAS

Similarity

N/A

ID: 299057

[2-fluoro-4-(propylcarbamoyl)phenyl]boronic acid

$$$$ Data

M. F.

C10H13BFNO3

Suppliers	Catalog Number
Alfa Aesar	H55208

Database	Data ID
PubChem	73996101

M. W.

225.0245232

CAS

Similarity

N/A

ID: 299058

{2-fluoro-4-[(3-methoxyphenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C14H13BFNO4

Suppliers	Catalog Number
Alfa Aesar	H55210

Database	Data ID
PubChem	73996102

M. W.

289.0667232

CAS

Similarity

N/A

ID: 299059

[4-(butylcarbamoyl)-2-fluorophenyl]boronic acid

$$$$ Data

M. F.

C11H15BFNO3

Suppliers	Catalog Number
Alfa Aesar	H55220

Database	Data ID
PubChem	73996103

M. W.

239.0511032

CAS

Similarity

N/A

ID: 299060

{4-[(tert-butoxy)carbonyl]-2-fluorophenyl}boronic acid

$$$$ Data

M. F.

C11H14BFO4

Suppliers	Catalog Number
Alfa Aesar	H55221

Database	Data ID
PubChem	73996104

M. W.

240.0358632

CAS

Similarity

N/A

ID: 299061

(2-chloro-5-{[(2-methylphenyl)methyl]carbamoyl}phenyl)boronic acid

$$$$ Data

M. F.

C15H15BClNO3

Suppliers	Catalog Number
Alfa Aesar	H55223

Database	Data ID
PubChem	73996105

M. W.

303.5485

CAS

Similarity

N/A

ID: 299062

[2-fluoro-4-(thiomorpholine-4-carbonyl)phenyl]boronic acid

$$$$ Data

M. F.

C11H13BFNO3S

Suppliers	Catalog Number
Alfa Aesar	H55235

Database	Data ID
PubChem	73996106

M. W.

269.1002232

CAS

Similarity

N/A

ID: 299063

{2-chloro-4-[(3-nitrophenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C13H10BClN2O5

Suppliers	Catalog Number
Alfa Aesar	H55240

Database	Data ID
PubChem	73996107

M. W.

320.4929

CAS

Similarity

N/A

ID: 299064

[2-chloro-4-(3-methylpiperidine-1-carbonyl)phenyl]boronic acid

$$$$ Data

M. F.

C13H17BClNO3

Suppliers	Catalog Number
Alfa Aesar	H55241

Database	Data ID
PubChem	73996108

M. W.

281.54298

CAS

Similarity

N/A

ID: 299065

diphenylboranyl (2S)-2-amino-3-phenylpropanoate

$$$$ Data

M. F.

C21H20BNO2

Suppliers	Catalog Number
Alfa Aesar	H55246

Database	Data ID
PubChem	73996109

M. W.

329.2

CAS

Similarity

N/A

ID: 299066

diphenylboranyl (2R)-2-amino-3-phenylpropanoate

$$$$ Data

M. F.

C21H20BNO2

Suppliers	Catalog Number
Alfa Aesar	H55247

Database	Data ID
PubChem	73996110

M. W.

329.2

CAS

Similarity

N/A

ID: 299067

{2-chloro-4-[(4-fluorophenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C13H10BClFNO3

Suppliers	Catalog Number
Alfa Aesar	H55250

Database	Data ID
PubChem	73996111

M. W.

293.4858032

CAS

Similarity

N/A

ID: 299068

4-(4-chlorobenzenesulfonyl)morpholine

$$$$ Data

M. F.

C10H12ClNO3S

Suppliers	Catalog Number
Alfa Aesar	H55268

Database	Data ID
PubChem	255686

M. W.

261.72518

CAS

22771-99-9

Similarity

N/A

ID: 299069

{4-[(2-chloro-6-methylphenyl)carbamoyl]-2-fluorophenyl}boronic acid

$$$$ Data

M. F.

C14H12BClFNO3

Suppliers	Catalog Number
Alfa Aesar	H55279

Database	Data ID
PubChem	73996112

M. W.

307.5123832

CAS

Similarity

N/A

ID: 299070

{2-fluoro-4-[(2-methoxyphenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C14H13BFNO4

Suppliers	Catalog Number
Alfa Aesar	H55286

Database	Data ID
PubChem	73996113

M. W.

289.0667232

CAS

Similarity

N/A

ID: 299071

{2-chloro-4-[(naphthalen-1-yl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C17H13BClNO3

Suppliers	Catalog Number
Alfa Aesar	H55291

Database	Data ID
PubChem	73996114

M. W.

325.55402

CAS

Similarity

N/A

ID: 299072

[2-chloro-5-(2-methylpiperidine-1-carbonyl)phenyl]boronic acid

$$$$ Data

M. F.

C13H17BClNO3

Suppliers	Catalog Number
Alfa Aesar	H55303

Database	Data ID
PubChem	73996115

M. W.

281.54298

CAS

Similarity

N/A

ID: 299073

[(4-methoxyphenyl)methyl](propan-2-yl)amine

$$$$ Data

M. F.

C11H17NO

Suppliers	Catalog Number
ChemBridge	4014221
Alfa Aesar	H55304

Database	Data ID
PubChem	4777650

M. W.

179.25878

CAS

70894-74-5

Similarity

N/A

ID: 299074

{4-[(3-chloro-2-methylphenyl)carbamoyl]-2-fluorophenyl}boronic acid

$$$$ Data

M. F.

C14H12BClFNO3

Suppliers	Catalog Number
Alfa Aesar	H55305

Database	Data ID
PubChem	73996116

M. W.

307.5123832

CAS

Similarity

N/A

ID: 299075

(3-bromo-5-methoxyphenyl)methanol

$$$$ Data

M. F.

C8H9BrO2

Suppliers	Catalog Number
Alfa Aesar	H55312

Database	Data ID
PubChem	10608788

M. W.

217.05986

CAS

20469-65-2

Similarity

N/A

ID: 299076

[2-chloro-4-(pyrrolidine-1-carbonyl)phenyl]boronic acid

$$$$ Data

M. F.

C11H13BClNO3

Suppliers	Catalog Number
Alfa Aesar	H55316

Database	Data ID
PubChem	73996117

M. W.

253.48982

CAS

Similarity

N/A

ID: 299077

{4-[(2,5-dimethylphenyl)carbamoyl]-2-fluorophenyl}boronic acid

$$$$ Data

M. F.

C15H15BFNO3

Suppliers	Catalog Number
Alfa Aesar	H55318

Database	Data ID
PubChem	73996118

M. W.

287.0939032

CAS

Similarity

N/A

ID: 299078

{2-fluoro-4-[(2-fluorophenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C13H10BF2NO3

Suppliers	Catalog Number
Alfa Aesar	H55319

Database	Data ID
PubChem	73996119

M. W.

277.0312064

CAS

Similarity

N/A

ID: 299079

{2-chloro-4-[(4-methyl-2-nitrophenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C14H12BClN2O5

Suppliers	Catalog Number
Alfa Aesar	H55323

Database	Data ID
PubChem	73996120

M. W.

334.51948

CAS

Similarity

N/A

ID: 299080

{2-chloro-4-[(2-fluorophenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C13H10BClFNO3

Suppliers	Catalog Number
Alfa Aesar	H55328

Database	Data ID
PubChem	73996121

M. W.

293.4858032

CAS

Similarity

N/A

ID: 299081

[4-(diethylcarbamoyl)-2-fluorophenyl]boronic acid

$$$$ Data

M. F.

C11H15BFNO3

Suppliers	Catalog Number
Alfa Aesar	H55329

Database	Data ID
PubChem	53417927

M. W.

239.0511032

CAS

Similarity

N/A

ID: 299082

2-methoxy-N-[(4-methoxyphenyl)methyl]aniline

$$$$ Data

M. F.

C15H17NO2

Suppliers	Catalog Number
Alfa Aesar	H55336 H55346

Database	Data ID
PubChem	17604639

M. W.

243.30098

CAS

14429-14-2

Similarity

N/A

ID: 299083

[2-chloro-4-(morpholine-4-carbonyl)phenyl]boronic acid

$$$$ Data

M. F.

C11H13BClNO4

Suppliers	Catalog Number
Alfa Aesar	H55340

Database	Data ID
PubChem	73996122

M. W.

269.48922

CAS

Similarity

N/A

ID: 299084

{2-chloro-4-[(4-nitrophenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C13H10BClN2O5

Suppliers	Catalog Number
Alfa Aesar	H55341

Database	Data ID
PubChem	73996123

M. W.

320.4929

CAS

Similarity

N/A

ID: 299085

{2-fluoro-4-[(4-methyl-2-nitrophenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C14H12BFN2O5

Suppliers	Catalog Number
Alfa Aesar	H55349

Database	Data ID
PubChem	73996124

M. W.

318.0648832

CAS

Similarity

N/A

ID: 299086

{2-chloro-5-[(2-fluorophenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C13H10BClFNO3

Suppliers	Catalog Number
Alfa Aesar	H55353

Database	Data ID
PubChem	73996125

M. W.

293.4858032

CAS

Similarity

N/A

ID: 299087

{2-fluoro-4-[(3-fluorophenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C13H10BF2NO3

Suppliers	Catalog Number
Alfa Aesar	H55376

Database	Data ID
PubChem	73996126

M. W.

277.0312064

CAS

Similarity

N/A

ID: 299088

{2-chloro-4-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C13H9BClFN2O5

Suppliers	Catalog Number
Alfa Aesar	H55379

Database	Data ID
PubChem	73996127

M. W.

338.4833632

CAS

Similarity

N/A

ID: 299089

4-chloro-N-(4-ethylphenyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C14H14ClNO2S

Suppliers	Catalog Number
Alfa Aesar	H55382

Database	Data ID
PubChem	710437

M. W.

295.78446

CAS

1725-89-9

Similarity

N/A

ID: 299090

2,4,6-trimethyl-N-{[4-(trifluoromethyl)phenyl]methyl}benzene-1-sulfonamide

$$$$ Data

M. F.

C17H18F3NO2S

Suppliers	Catalog Number
Alfa Aesar	H55384

Database	Data ID
PubChem	3700146

M. W.

357.3905296

CAS

Similarity

N/A

ID: 299091

{4-[benzyl(ethyl)carbamoyl]-2-fluorophenyl}boronic acid

$$$$ Data

M. F.

C16H17BFNO3

Suppliers	Catalog Number
Alfa Aesar	H55390

Database	Data ID
PubChem	73996128

M. W.

301.1204832

CAS

Similarity

N/A

ID: 299092

{2-chloro-4-[(2-fluoro-5-methylphenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C14H12BClFNO3

Suppliers	Catalog Number
Alfa Aesar	H55404

Database	Data ID
PubChem	73996129

M. W.

307.5123832

CAS

Similarity

N/A

ID: 299093

{2-fluoro-4-[(4-fluoro-2-nitrophenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C13H9BF2N2O5

Suppliers	Catalog Number
Alfa Aesar	H55407

Database	Data ID
PubChem	73996130

M. W.

322.0287664

CAS

Similarity

N/A

ID: 299094

(2-chloro-4-{[4-(trifluoromethyl)phenyl]carbamoyl}phenyl)boronic acid

$$$$ Data

M. F.

C14H10BClF3NO3

Suppliers	Catalog Number
Alfa Aesar	H55423

Database	Data ID
PubChem	73996131

M. W.

343.4933096

CAS

Similarity

N/A

ID: 299095

(4-{[2-(dimethylamino)ethyl]carbamoyl}-2-fluorophenyl)boronic acid

$$$$ Data

M. F.

C11H16BFN2O3

Suppliers	Catalog Number
Alfa Aesar	H55428

Database	Data ID
PubChem	73996132

M. W.

254.0657432

CAS

Similarity

N/A

ID: 299096

2-tert-butyl-7-(2-methylpropyl)-9H-fluorene

$$$$ Data

M. F.

C21H26

Suppliers	Catalog Number
Alfa Aesar	H55430

Database	Data ID
PubChem	73996133

M. W.

278.43114

CAS

58775-05-6

Similarity

N/A

ID: 299097

{2-chloro-5-[(2-phenylethyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C15H15BClNO3

Suppliers	Catalog Number
Alfa Aesar	H55442

Database	Data ID
PubChem	73996134

M. W.

303.5485

CAS

Similarity

N/A

ID: 299098

{2-chloro-4-[methyl(phenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C14H13BClNO3

Suppliers	Catalog Number
Alfa Aesar	H55444

Database	Data ID
PubChem	73996135

M. W.

289.52192

CAS

Similarity

N/A

ID: 299099

{4-[(benzyloxy)carbonyl]-2-fluorophenyl}boronic acid

$$$$ Data

M. F.

C14H12BFO4

Suppliers	Catalog Number
Alfa Aesar	H55457

Database	Data ID
PubChem	71742045

M. W.

274.0520832

CAS

Similarity

N/A

ID: 299100

{4-[bis(propan-2-yl)carbamoyl]-2-fluorophenyl}boronic acid

$$$$ Data

M. F.

C13H19BFNO3

Suppliers	Catalog Number
Alfa Aesar	H55460

Database	Data ID
PubChem	73996136

M. W.

267.1042632

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