Chembase list of 866358 unique molecular structures

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

$$$$ Data

M. F.

C13H17BClNO3

Suppliers	Catalog Number
Alfa Aesar	H54265

Database	Data ID
PubChem	73995723

M. W.

281.54298

CAS

Similarity

N/A

ID: 298602

(2-fluoro-5-{[(2-methoxyphenyl)methyl]carbamoyl}phenyl)boronic acid

$$$$ Data

M. F.

C15H15BFNO4

Suppliers	Catalog Number
Alfa Aesar	H54267

Database	Data ID
PubChem	73995724

M. W.

303.0933032

CAS

Similarity

N/A

ID: 298603

{2-chloro-5-[(3-chloro-2-methylphenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C14H12BCl2NO3

Suppliers	Catalog Number
Alfa Aesar	H54269

Database	Data ID
PubChem	73995725

M. W.

323.96698

CAS

Similarity

N/A

ID: 298604

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

$$$$ Data

M. F.

C14H13BFNO3

Suppliers	Catalog Number
Alfa Aesar	H54270

Database	Data ID
PubChem	73995726

M. W.

273.0673232

CAS

Similarity

N/A

ID: 298605

[2-chloro-5-(diethylcarbamoyl)phenyl]boronic acid

$$$$ Data

M. F.

C11H15BClNO3

Suppliers	Catalog Number
Alfa Aesar	H54271

Database	Data ID
PubChem	73995727

M. W.

255.5057

CAS

Similarity

N/A

ID: 298606

tert-butyl N-(4-cyanophenyl)carbamate

$$$$ Data

M. F.

C12H14N2O2

Suppliers	Catalog Number
Alfa Aesar	H54272

Database	Data ID
PubChem	10130644

M. W.

218.25176

CAS

Similarity

N/A

ID: 298607

formaldehyde; {2-chloro-4-[(4-methylphenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C15H15BClNO4

Suppliers	Catalog Number
Alfa Aesar	H54273

Database	Data ID
PubChem	73995728

M. W.

319.5479

CAS

Similarity

N/A

ID: 298608

{3-fluoro-5-[(3-nitrophenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C13H10BFN2O5

Suppliers	Catalog Number
Alfa Aesar	H54274

Database	Data ID
PubChem	73995730

M. W.

304.0383032

CAS

Similarity

N/A

ID: 298609

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

$$$$ Data

M. F.

C13H17BClNO3

Suppliers	Catalog Number
Alfa Aesar	H54276

Database	Data ID
PubChem	73995731

M. W.

281.54298

CAS

Similarity

N/A

ID: 298610

naphthalene-1,4-dicarbothioamide

$$$$ Data

M. F.

C12H10N2S2

Suppliers	Catalog Number
Alfa Aesar	H54278

Database	Data ID
PubChem	73995732

M. W.

246.3512

CAS

Similarity

N/A

ID: 298611

3-methylbenzene-1-carbothioamide; methanedione

$$$$ Data

M. F.

C9H9NO2S

Suppliers	Catalog Number
Alfa Aesar	H54279

Database	Data ID
PubChem	73995733

M. W.

195.23826

CAS

Similarity

N/A

ID: 298612

{3-[(2-methylphenyl)sulfamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C13H14BNO4S

Suppliers	Catalog Number
Alfa Aesar	H54280

Database	Data ID
PubChem	73995734

M. W.

291.13056

CAS

Similarity

N/A

ID: 298613

2-(4-ethylphenyl)-4-phenyl-1,3-thiazole

$$$$ Data

M. F.

C17H15NS

Suppliers	Catalog Number
Alfa Aesar	H54285

Database	Data ID
PubChem	73995735

M. W.

265.3727

CAS

Similarity

N/A

ID: 298614

{2-chloro-5-[(3,4-dimethoxyphenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C15H15BClNO5

Suppliers	Catalog Number
Alfa Aesar	H54287

Database	Data ID
PubChem	73995736

M. W.

335.5473

CAS

Similarity

N/A

ID: 298615

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

$$$$ Data

M. F.

C15H14BF2NO3

Suppliers	Catalog Number
Alfa Aesar	H54288

Database	Data ID
PubChem	73995737

M. W.

305.0843664

CAS

Similarity

N/A

ID: 298616

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

$$$$ Data

M. F.

C15H23BClNO3

Suppliers	Catalog Number
Alfa Aesar	H54289

Database	Data ID
PubChem	73995738

M. W.

311.61202

CAS

Similarity

N/A

ID: 298617

{3-[(3-methylphenyl)sulfamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C13H14BNO4S

Suppliers	Catalog Number
Alfa Aesar	H54291

Database	Data ID
PubChem	73995739

M. W.

291.13056

CAS

Similarity

N/A

ID: 298618

2-(3-methylphenyl)-1H-imidazole-4,5-dicarbonitrile

$$$$ Data

M. F.

C12H8N4

Suppliers	Catalog Number
Alfa Aesar	H54292

Database	Data ID
PubChem	73995740

M. W.

208.21872

CAS

Similarity

N/A

ID: 298619

2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine

$$$$ Data

M. F.

C8H7N3O

Suppliers	Catalog Number
Alfa Aesar	H54293

Database	Data ID
PubChem	268849

M. W.

161.16068

CAS

Similarity

N/A

ID: 298620

{5-[(3,5-dichlorophenyl)carbamoyl]-2-fluorophenyl}boronic acid

$$$$ Data

M. F.

C13H9BCl2FNO3

Suppliers	Catalog Number
Alfa Aesar	H54296

Database	Data ID
PubChem	73995741

M. W.

327.9308632

CAS

Similarity

N/A

ID: 298621

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

$$$$ Data

M. F.

C14H13BClNO3

Suppliers	Catalog Number
Alfa Aesar	H54297

Database	Data ID
PubChem	73995742

M. W.

289.52192

CAS

Similarity

N/A

ID: 298622

2-(4-methylphenyl)-1H-imidazole-4,5-dicarbonitrile

$$$$ Data

M. F.

C12H8N4

Suppliers	Catalog Number
Alfa Aesar	H54298

Database	Data ID
PubChem	21798437

M. W.

208.21872

CAS

Similarity

N/A

ID: 298623

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

$$$$ Data

M. F.

C14H12BClFNO3

Suppliers	Catalog Number
Alfa Aesar	H54300

Database	Data ID
PubChem	73995743

M. W.

307.5123832

CAS

Similarity

N/A

ID: 298624

{2-fluoro-5-[(4-fluoro-3-nitrophenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C13H9BF2N2O5

Suppliers	Catalog Number
Alfa Aesar	H54302

Database	Data ID
PubChem	73995744

M. W.

322.0287664

CAS

Similarity

N/A

ID: 298625

tert-butyl 4,5-dicyano-2-(pyridin-3-yl)-1H-imidazole-1-carboxylate

$$$$ Data

M. F.

C15H13N5O2

Suppliers	Catalog Number
Alfa Aesar	H54303

Database	Data ID
PubChem	73995745

M. W.

295.29602

CAS

Similarity

N/A

ID: 298626

{2-fluoro-5-[(2-methyl-3-nitrophenyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C14H12BFN2O5

Suppliers	Catalog Number
Alfa Aesar	H54304

Database	Data ID
PubChem	73995746

M. W.

318.0648832

CAS

Similarity

N/A

ID: 298627

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

$$$$ Data

M. F.

C13H9BClF2NO3

Suppliers	Catalog Number
Alfa Aesar	H54306

Database	Data ID
PubChem	73995747

M. W.

311.4762664

CAS

Similarity

N/A

ID: 298628

{3-fluoro-4-[(pyridin-3-yl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C12H10BFN2O3

Suppliers	Catalog Number
Alfa Aesar	H54308

Database	Data ID
PubChem	73995748

M. W.

260.0288032

CAS

Similarity

N/A

ID: 298629

[3-fluoro-5-(4-methylpiperidine-1-carbonyl)phenyl]boronic acid

$$$$ Data

M. F.

C13H17BFNO3

Suppliers	Catalog Number
Alfa Aesar	H54310

Database	Data ID
PubChem	73995749

M. W.

265.0883832

CAS

Similarity

N/A

ID: 298630

(E)-N',3,4-trihydroxybenzene-1-carboximidamide

$$$$ Data

M. F.

C7H8N2O3

Suppliers	Catalog Number
Alfa Aesar	H54311

Database	Data ID
PubChem	6504973

M. W.

168.15002

CAS

Similarity

N/A

ID: 298631

ethyl 2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylate

$$$$ Data

M. F.

C18H15NO3S

Suppliers	Catalog Number
Alfa Aesar	H54313

Database	Data ID
PubChem	73995750

M. W.

325.3816

CAS

Similarity

N/A

ID: 298632

2-chloro-1,3-dimethyl-1H-imidazol-3-ium; tetrafluoroboranuide

$$$$ Data

M. F.

C5H8BClF4N2

Suppliers	Catalog Number
Alfa Aesar	H54316

Database	Data ID
PubChem	22175717

M. W.

218.3880328

CAS

153433-26-2

Similarity

N/A

ID: 298633

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

$$$$ Data

M. F.

C13H10BFN2O5

Suppliers	Catalog Number
Alfa Aesar	H54319

Database	Data ID
PubChem	73995751

M. W.

304.0383032

CAS

Similarity

N/A

ID: 298634

4-(6-benzoyl-1H-1,3-benzodiazol-2-yl)benzonitrile

$$$$ Data

M. F.

C21H13N3O

Suppliers	Catalog Number
Alfa Aesar	H54322

Database	Data ID
PubChem	44518091

M. W.

323.34742

CAS

Similarity

N/A

ID: 298635

(3-cyanophenyl)methyl acetate

$$$$ Data

M. F.

C10H9NO2

Suppliers	Catalog Number
Alfa Aesar	H54323

Database	Data ID
PubChem	10012422

M. W.

175.18396

CAS

Similarity

N/A

ID: 298636

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

$$$$ Data

M. F.

C14H13BFNO3

Suppliers	Catalog Number
Alfa Aesar	H54324

Database	Data ID
PubChem	73995752

M. W.

273.0673232

CAS

Similarity

N/A

ID: 298637

[2-chloro-4-(dodecylcarbamoyl)phenyl]boronic acid

$$$$ Data

M. F.

C19H31BClNO3

Suppliers	Catalog Number
Alfa Aesar	H54325

Database	Data ID
PubChem	73995753

M. W.

367.71834

CAS

Similarity

N/A

ID: 298638

(3-fluoro-4-{[(4-methylphenyl)methyl]carbamoyl}phenyl)boronic acid

$$$$ Data

M. F.

C15H15BFNO3

Suppliers	Catalog Number
Alfa Aesar	H54326

Database	Data ID
PubChem	73995754

M. W.

287.0939032

CAS

Similarity

N/A

ID: 298639

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

$$$$ Data

M. F.

C13H10BF2NO3

Suppliers	Catalog Number
Alfa Aesar	H54328

Database	Data ID
PubChem	73995755

M. W.

277.0312064

CAS

Similarity

N/A

ID: 298640

(E)-N'-hydroxy-3-methyl-4-nitrobenzene-1-carboximidamide

$$$$ Data

M. F.

C8H9N3O3

Suppliers	Catalog Number
Alfa Aesar	H54329

Database	Data ID
PubChem	73995756

M. W.

195.17536

CAS

Similarity

N/A

ID: 298641

(3-fluoro-5-{[(3-methylphenyl)methyl]carbamoyl}phenyl)boronic acid

$$$$ Data

M. F.

C15H15BFNO3

Suppliers	Catalog Number
Alfa Aesar	H54330

Database	Data ID
PubChem	73995757

M. W.

287.0939032

CAS

Similarity

N/A

ID: 298642

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

$$$$ Data

M. F.

C13H17BFNO3

Suppliers	Catalog Number
Alfa Aesar	H54331

Database	Data ID
PubChem	73995758

M. W.

265.0883832

CAS

Similarity

N/A

ID: 298643

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

$$$$ Data

M. F.

C13H9BCl2N2O5

Suppliers	Catalog Number
Alfa Aesar	H54332

Database	Data ID
PubChem	73995759

M. W.

354.93796

CAS

Similarity

N/A

ID: 298644

(Z)-N'-hydroxy-2-(4-{[(Z)-N'-hydroxycarbamimidoyl]methyl}phenyl)ethenimidamide

$$$$ Data

M. F.

C10H14N4O2

Suppliers	Catalog Number
Alfa Aesar	H54336

Database	Data ID
PubChem	44171746

M. W.

222.24376

CAS

Similarity

N/A

ID: 298645

3-phenyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; sulfonylideneamine

$$$$ Data

M. F.

C17H21BN2O4S

Suppliers	Catalog Number
Alfa Aesar	H54339

Database	Data ID
PubChem	73995760

M. W.

360.23564

CAS

1083326-28-6

Similarity

N/A

ID: 298646

3-phenyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine; formaldehyde

$$$$ Data

M. F.

C18H23BN2O3

Suppliers	Catalog Number
Alfa Aesar	H54341

Database	Data ID
PubChem	73995761

M. W.

326.19782

CAS

756520-57-7

Similarity

N/A

ID: 298647

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

$$$$ Data

M. F.

C14H12BFN2O6

Suppliers	Catalog Number
Alfa Aesar	H54343

Database	Data ID
PubChem	73995763

M. W.

334.0642832

CAS

Similarity

N/A

ID: 298648

4-methylbenzene-1-carbothioamide; methanedione

$$$$ Data

M. F.

C9H9NO2S

Suppliers	Catalog Number
Alfa Aesar	H54345

Database	Data ID
PubChem	73995764

M. W.

195.23826

CAS

Similarity

N/A

ID: 298649

bromo(3,4-dimethylphenyl)magnesium

$$$$ Data

M. F.

C8H9BrMg

Suppliers	Catalog Number
Alfa Aesar	H54346

Database	Data ID
PubChem	11745878

M. W.

209.36606

CAS

Similarity

N/A

ID: 298650

{4-[(3-butoxypropyl)carbamoyl]-2-chlorophenyl}boronic acid

$$$$ Data

M. F.

C14H21BClNO4

Suppliers	Catalog Number
Alfa Aesar	H54348

Database	Data ID
PubChem	73995765

M. W.

313.58484

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