3-Fluorophenylboronic acid

C₆H₆BFO₂CAS 768-35-4139.92 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid

Properties

Molecular formula: C₆H₆BFO₂
Molar mass: 139.92 g/mol
Exact mass: 140.0445 Da
logP: -0.49Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

768-35-4

SMILES

OB(O)c1cccc(F)c1

InChIKey

KNXQDJCZSVHEIW-UHFFFAOYSA-N

InChI

InChI=1S/C6H6BFO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H

Weigh it out

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

Names and synonyms

7 names

Boronic acid, B-(3-fluorophenyl)-
Benzeneboronic acid, m-fluoro-
Boronic acid, (3-fluorophenyl)-
B-(3-Fluorophenyl)boronic acid
3-Fluorobenzeneboronic acid
m-Fluorophenylboronic acid
(3-Fluorophenyl-1-yl)boronic acid

Work with 3-Fluorophenylboronic 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

(3,5-Difluorophenyl)boronic acid156545-07-263 % similar (3-Hydroxyphenyl)boronic acid87199-18-656 % similar (3-Hydroxymethyl)phenylboronic acid87199-15-355 % similar 3-Methylphenylboronic acid17933-03-854 % similar 3-Aminophenylboronic acid30418-59-854 % similar 3-Trifluoromethylphenylboronic acid1423-26-353 % similar 3-(Bromomethyl)phenylboronic acid51323-43-453 % similar B-(3-Fluoro-5-hydroxyphenyl)boronic acid871329-82-752 % similar

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

Same formula

(4-Fluorophenyl)boronic acid1765-93-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook