2-Fluoro-6-hydroxyphenylboronic acid

C₆H₆BFO₃CAS 1256345-60-4155.92 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

H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

1256345-60-4

SMILES

B(C1=C(C=CC=C1F)O)(O)O

InChIKey

FPXQHZPCFRQWCP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Fluoro-6-hydroxyphenylboronic 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-Chloro-6-fluorophenylboronic acid313545-32-360 % similar (2-Bromo-6-fluorophenyl)boronic acid913835-80-060 % similar 2-Fluoro-6-methoxyphenylboronic acid78495-63-353 % similar 2-Fluorophenol367-12-452 % similar 3-Fluoro-1,2-benzenediol363-52-052 % similar 2,3-Difluorophenol6418-38-852 % similar 2,3,6-Trifluorophenylboronic acid247564-71-250 % similar

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

Same formula

3-Fluoro-4-hydroxybenzeneboronic acid182344-14-5 B-(3-Fluoro-5-hydroxyphenyl)boronic acid871329-82-7

Elsewhere

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