(2-Fluoro-5-formylphenyl)boronic acid

C₇H₆BFO₃CAS 352534-79-3167.93 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

H302 Harmful if swallowed86.4% of notifiers
H315 Causes skin irritation13.6% of notifiers
H319 Causes serious eye irritation13.6% of notifiers
H332 Harmful if inhaled86.4% of notifiers
H335 May cause respiratory irritation13.6% of notifiers

Aggregated from 44 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

352534-79-3

SMILES

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

InChIKey

SQSWYWCEKCVQEA-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BFO3/c9-7-2-1-5(4-10)3-6(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

1 names

2-Fluoro-5-formylphenylboronic acid

Work with (2-Fluoro-5-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

3,4-Difluorobenzaldehyde34036-07-258 % similar 2-Methoxy-5-formylphenylboronic acid127972-02-555 % similar 2,5-Difluorophenylboronic acid193353-34-355 % similar (2,4-Difluoro-3-formylphenyl)boronic acid870718-06-254 % similar (5-Bromo-2-fluorophenyl)boronic acid112204-57-651 % similar 4-Fluoro-3-methylbenzaldehyde135427-08-651 % similar 2-Fluoro-5-methylphenylboronic acid166328-16-151 % similar 3-Chloro-4-fluorobenzaldehyde34328-61-551 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-4-formylphenylboronic acid248270-25-9 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 B-(2-Fluoro-4-formylphenyl)boronic acid871126-22-6

Elsewhere

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