(2-Bromo-6-fluorophenyl)boronic acid

C₆H₅BBrFO₂CAS 913835-80-0218.82 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₅BBrFO₂
Molar mass: 218.82 g/mol
Exact mass: 217.9550 Da
logP: 0.27Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

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

Aggregated from the 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

913835-80-0

SMILES

OB(O)c1c(F)cccc1Br

InChIKey

MVSHYHSMIRBRGU-UHFFFAOYSA-N

InChI

InChI=1S/C6H5BBrFO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H

Weigh it out

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

Names and synonyms

4 names

B-(2-Bromo-6-fluorophenyl)boronic acid
Boronic acid, B-(2-bromo-6-fluorophenyl)-
Boronic acid, (2-bromo-6-fluorophenyl)-
2-Bromo-6-fluorophenylboronic acid

Work with (2-Bromo-6-fluorophenyl)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

2,6-Difluorophenylboronic acid162101-25-972 % similar 2-Fluoro-6-hydroxyphenylboronic acid1256345-60-460 % similar 2-Chloro-6-fluorophenylboronic acid313545-32-360 % similar 2-Fluoro-6-methoxyphenylboronic acid78495-63-353 % similar 2-Bromo-6-fluorophenol2040-89-350 % similar 2,3,6-Trifluorophenylboronic acid247564-71-250 % similar 4-Bromo-2,6-difluorophenylboronic acid352535-81-048 % similar 1-Bromo-2,3-difluorobenzene38573-88-548 % similar

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

Same formula

(5-Bromo-2-fluorophenyl)boronic acid112204-57-6 4-Bromo-2-fluorobenzeneboronic acid216393-64-5 (3-Bromo-2-fluorophenyl)boronic acid352535-97-8 4-Bromo-3-fluorobenzeneboronic acid374790-97-3

Elsewhere

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