3-Fluoro-4-hydroxybenzeneboronic acid

C₆H₆BFO₃CAS 182344-14-5155.92 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Phenol

Properties

Molecular formula: C₆H₆BFO₃
Molar mass: 155.92 g/mol
Exact mass: 156.0394 Da
logP: -0.79Crippen estimate
Polar surface area: 60.7 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

182344-14-5

SMILES

B(C1=CC(=C(C=C1)O)F)(O)O

InChIKey

OYNDLOJPYURCJG-UHFFFAOYSA-N

InChI

InChI=1S/C6H6BFO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9-11H

Weigh it out

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

Names and synonyms

1 names

(3-Fluoro-4-hydroxyphenyl)boronic acid

Work with 3-Fluoro-4-hydroxybenzeneboronic 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

(3,4-Difluorophenyl)boronic acid168267-41-267 % similar 4-Chloro-3-fluorophenylboronic Acid137504-86-058 % similar 3-Fluoro-4-methylphenylboronic acid168267-99-058 % similar 4-Bromo-3-fluorobenzeneboronic acid374790-97-358 % similar 3-Fluoro-4-formylphenylboronic acid248270-25-958 % similar 3-Chloro-4-hydroxyphenylboronic acid182344-13-455 % similar 4-Fluoro-3-methylphenylboronic acid139911-27-653 % similar 3-Chloro-4-fluorophenylboronic acid144432-85-953 % similar

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

Same formula

B-(3-Fluoro-5-hydroxyphenyl)boronic acid871329-82-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook