B-(2-Fluoro-4-formylphenyl)boronic acid

C₇H₆BFO₃CAS 871126-22-6167.93 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Boronic acid

Properties

Molecular formula: C₇H₆BFO₃
Molar mass: 167.93 g/mol
Exact mass: 168.0394 Da
logP: -0.68Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

871126-22-6

SMILES

O=Cc1ccc(B(O)O)c(F)c1

InChIKey

OAEJODVYVOAOPH-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BFO3/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-4,11-12H

Weigh it out

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

Names and synonyms

4 names

Boronic acid, B-(2-fluoro-4-formylphenyl)-
Boronic acid, (2-fluoro-4-formylphenyl)-
2-Fluoro-4-formylbenzeneboronic acid
2-Fluoro-4-formylphenylboronic acid

Work with B-(2-Fluoro-4-formylphenyl)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

2,4-Difluorophenylboronic acid144025-03-659 % similar 3,4-Difluorobenzaldehyde34036-07-258 % similar 3-Fluoro-4-hydroxybenzaldehyde405-05-056 % similar (2,4-Difluoro-3-formylphenyl)boronic acid870718-06-254 % similar 3-Fluoro-4-iodobenzaldehyde1003709-57-651 % similar 4-Bromo-3-fluorobenzaldehyde133059-43-551 % similar (4-Chloro-2-fluorophenyl)boronic acid160591-91-351 % similar 2-Fluoro-4-methylphenylboronic acid170981-26-751 % similar

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

Same formula

3-Fluoro-4-formylphenylboronic acid248270-25-9 (2-Fluoro-5-formylphenyl)boronic acid352534-79-3 4-Fluoro-3-formylphenylboronic acid374538-01-9 4-Fluoro-2-formylphenylboronic Acid (contains varying amounts of Anhydride)825644-26-6 B-(2-Fluoro-3-formylphenyl)boronic acid849061-98-9 B-(3-Fluoro-2-formylphenyl)boronic acid871126-15-7

Elsewhere

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