3-Fluoro-4-formylphenylboronic acid

C₇H₆BFO₃CAS 248270-25-9167.93 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 irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H335 May cause respiratory irritation95.8% of notifiers

Aggregated from 48 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

248270-25-9

SMILES

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

InChIKey

NZNRMUVHUVCIBR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3-Fluoro-4-formylphenylboronic 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 acid168267-41-258 % similar 3-Fluoro-4-hydroxybenzeneboronic acid182344-14-558 % similar 2-Fluoro-4-hydroxybenzaldehyde348-27-656 % similar 2,4-Difluorobenzaldehyde1550-35-255 % similar 4-Chloro-3-fluorophenylboronic Acid137504-86-051 % similar 2-Fluoro-4-methylbenzaldehyde146137-80-651 % similar 3-Fluoro-4-methylphenylboronic acid168267-99-051 % similar 4-Bromo-3-fluorobenzeneboronic acid374790-97-351 % similar

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

Same formula

(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 B-(2-Fluoro-4-formylphenyl)boronic acid871126-22-6

Elsewhere

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