4-Fluoro-2-formylphenylboronic Acid (contains varying amounts of Anhydride)

C₇H₆BFO₃CAS 825644-26-6167.93 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

825644-26-6

SMILES

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

InChIKey

QWUBOCQWTPCPNE-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

(4-Fluoro-2-formylphenyl)boronic acid

Work with 4-Fluoro-2-formylphenylboronic Acid (contains varying amounts of Anhydride)

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

B-(4-Chloro-2-formylphenyl)boronic acid913835-76-460 % similar 2-Formylphenylboronic acid40138-16-756 % similar 5-Fluorosalicylaldehyde347-54-656 % similar 4-Methoxy-2-formylphenylboronic acid139962-95-155 % similar 2,4-Difluorophenylboronic acid144025-03-655 % similar 2,5-Difluorobenzaldehyde2646-90-455 % similar 4-Fluoro-2-hydroxybenzaldehyde348-28-753 % similar (4-Fluoro-2-methylphenyl)boronic acid139911-29-851 % 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 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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