4'-Bromo-4-biphenylboronic Acid (contains varying amounts of Anhydride)

C₁₂H₁₀BBrO₂CAS 480996-05-2276.92 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₁₂H₁₀BBrO₂
Molar mass: 276.92 g/mol
Exact mass: 275.9957 Da
logP: 1.80Crippen estimate
Polar surface area: 40.5 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

480996-05-2

SMILES

B(C1=CC=C(C=C1)C2=CC=C(C=C2)Br)(O)O

InChIKey

HQAGDFJHKPSZHT-UHFFFAOYSA-N

InChI

InChI=1S/C12H10BBrO2/c14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16/h1-8,15-16H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

4'-Bromo-4-biphenylboronic acid

Work with 4'-Bromo-4-biphenylboronic Acid (contains varying amounts of Anhydride)

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

(4-Bromophenyl)boronic acid5467-74-386 % similar 4,4'-Biphenyldiboronic acid4151-80-871 % similar 4-Biphenylboronic acid5122-94-160 % similar 4,4''-Dibromo-P-terphenyl17788-94-257 % similar 1,4-Benzenediboronic acid4612-26-457 % similar 4,4′-Dibromobiphenyl92-86-457 % similar 4-(4-Fluorophenyl)phenylboronic acid140369-67-156 % similar 4'-Chloro-4-biphenylboronic acid364044-44-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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