(9-Phenyl-9H-carbazol-2-yl)boronic acid

C₁₈H₁₄BNO₂CAS 1001911-63-2287.13 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
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1001911-63-2

SMILES

B(C1=CC2=C(C=C1)C3=CC=CC=C3N2C4=CC=CC=C4)(O)O

InChIKey

XSAOVBUSKVZIBE-UHFFFAOYSA-N

InChI

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

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Work with (9-Phenyl-9H-carbazol-2-yl)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

B-(6,9-Diphenyl-9H-carbazol-3-yl)boronic acid1133058-06-663 % similar [9-(2-Naphthalenyl)-9H-carbazole-3-yl] boronic acid1133057-98-361 % similar 9- Phenyl-2-(4,4,5,5-tetramethyl- 1,3,2-dioxaborolan-2-yl)-9H-carbazole1246669-45-358 % similar 9-Phenylcarbazole1150-62-558 % similar 2-Bromo-9-phenylcarbazole94994-62-455 % similar 9,9'-(1,3-Phenylene)bis-9H-carbazole550378-78-450 % similar 9-Ethylcarbazole-3-boronic Acid669072-93-949 % similar 9,10-Diphenylanthracene-2-boronic Acid597553-98-549 % similar

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

Same formula

B-[2-(9H-Carbazol-9-yl)phenyl]boronic acid1189047-28-6 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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