5-Bromo-2-methoxyphenylboronic acid

C₇H₈BBrO₃CAS 89694-45-1230.85 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ether

Properties

Molecular formula: C₇H₈BBrO₃
Molar mass: 230.85 g/mol
Exact mass: 229.9750 Da
Melting point: 130.5–131 °C
logP: 0.14Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

89694-45-1

SMILES

COc1ccc(Br)cc1B(O)O

InChIKey

FVRLSHRAYPFXRQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BBrO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4,10-11H,1H3

Weigh it out

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

Names and synonyms

6 names

Boronic acid, B-(5-bromo-2-methoxyphenyl)-
Benzeneboronic acid, 5-bromo-2-methoxy-
Boronic acid, (5-bromo-2-methoxyphenyl)-
B-(5-Bromo-2-methoxyphenyl)boronic acid
5-Bromo-2-methoxybenzeneboronic acid
3-Bromo-6-methoxyphenylboronic acid

Work with 5-Bromo-2-methoxyphenylboronic 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

2,5-Dimethoxyphenylboronic acid107099-99-064 % similar 2-Methoxy-5-methylphenylboronic acid127972-00-362 % similar 5-Fluoro-2-methoxyphenylboronic acid179897-94-060 % similar 5-Chloro-2-methoxyphenylboronic acid89694-48-460 % similar Bromoveratrole2859-78-158 % similar 5-Isopropyl-2-methoxyphenylboronic acid216393-63-457 % similar 5-Bromo-2-methoxyphenol37942-01-156 % similar 2-Methoxy-5-formylphenylboronic acid127972-02-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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