4-Fluoro-3-formylphenylboronic acid

C7H6BFO3CAS 374538-01-9167.93 g/mol

Open in Covalent MOL file
BFOHOHO
AldehydeAryl halideBoronic 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 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
374538-01-9
SMILES
B(C1=CC(=C(C=C1)F)C=O)(O)O
InChIKey
YABSTJQEBSKPCG-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BFO3/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-4,11-12H

Weigh it out

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Names and synonyms

1 names
  • (4-Fluoro-3-formylphenyl)boronic acid

Work with 4-Fluoro-3-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-Formyl-4-methoxyphenyl)boronic acid121124-97-855 % similar 2,5-Difluorobenzaldehyde2646-90-455 % similar 4-Fluoro-3-methylphenylboronic acid139911-27-651 % similar 3-Chloro-4-fluorophenylboronic acid144432-85-951 % similar 2-Fluoro-5-iodobenzaldehyde146137-76-051 % similar 2-Fluoro-5-methylbenzaldehyde93249-44-651 % similar 5-Bromo-2-fluorobenzaldehyde93777-26-551 % 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-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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