[4-Bromo-2,3-difluorophenyl]boronic acid

C₆H₄BBrF₂O₂CAS 374790-99-5236.81 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₄BBrF₂O₂
Molar mass: 236.81 g/mol
Exact mass: 235.9456 Da
logP: 0.41Crippen 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 5 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

374790-99-5

SMILES

OB(O)c1ccc(Br)c(F)c1F

InChIKey

CUTKSWXGYLUSCY-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BBrF2O2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2,11-12H

Weigh it out

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

Names and synonyms

4 names

Boronic acid, B-(4-bromo-2,3-difluorophenyl)-
Boronic acid, (4-bromo-2,3-difluorophenyl)-
B-(4-Bromo-2,3-difluorophenyl)boronic acid
4-Bromo-2,3-difluorobenzeneboronic acid

Work with [4-Bromo-2,3-difluorophenyl]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

(3-Bromo-2-fluorophenyl)boronic acid352535-97-871 % similar 2,3,4-Trifluorobenzeneboronic acid226396-32-359 % similar 1,4-Dibromo-2,3-difluorobenzene156682-52-958 % similar 4-Bromo-2,3-difluorophenol144292-32-050 % similar 4-Bromo-1-naphthaleneboronic Acid145965-14-650 % similar 2,3-Difluoro-4-methoxyphenylboronic acid170981-41-650 % similar 1-Bromo-2,3,4-trifluorobenzene176317-02-548 % similar (2-Bromophenyl)boronic acid244205-40-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2,6-difluorophenylboronic acid352535-81-0

Elsewhere

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