B-[2-(9H-Carbazol-9-yl)phenyl]boronic acid

C₁₈H₁₄BNO₂CAS 1189047-28-6287.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₁₄BNO₂
Molar mass: 287.13 g/mol
Exact mass: 287.1118 Da
logP: 2.46Crippen estimate
Polar surface area: 45.4 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

1189047-28-6

SMILES

B(C1=CC=CC=C1N2C3=CC=CC=C3C4=CC=CC=C42)(O)O

InChIKey

MBWDMWMXFNHYLL-UHFFFAOYSA-N

InChI

InChI=1S/C18H14BNO2/c21-19(22)15-9-3-6-12-18(15)20-16-10-4-1-7-13(16)14-8-2-5-11-17(14)20/h1-12,21-22H

Weigh it out

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Names and synonyms

1 names

2-(9H-Carbazol-9-yl)phenylboronic Acid (contains varying amounts of Anhydride)

Work with B-[2-(9H-Carbazol-9-yl)phenyl]boronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

9-(1-Naphthyl) carbazole22034-43-150 % similar N-(2-Bromophenyl)-9H-carbazole902518-11-050 % similar 1-Naphthylboronic acid13922-41-347 % similar 9-[2-(Diphenylphosphino)phenyl]-9H-carbazole1308652-67-643 % similar B-(1-Methyl-1H-indol-4-yl)boronic acid590417-56-442 % similar 9-Phenylcarbazole1150-62-542 % similar 1,3,5-Tri(9-carbazolyl)benzene148044-07-942 % similar [9-(2-Naphthalenyl)-9H-carbazole-3-yl] boronic acid1133057-98-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(9-Phenyl-9H-carbazol-2-yl)boronic acid1001911-63-2 4-(9H-Carbozol-9-yl)phenylboronic acid419536-33-7 9-Phenyl-9H-carbazole-3-boronic acid854952-58-2 3-(9H-Carbazol-9-yl)phenylboronic acid864377-33-3

Elsewhere

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