3-Carboxy-4-fluorophenylboronic acid

C₇H₆BFO₄CAS 872460-12-3183.93 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Carboxylic acid

Properties

Molecular formula: C₇H₆BFO₄
Molar mass: 183.93 g/mol
Exact mass: 184.0343 Da
logP: -0.80Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 3 / 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

872460-12-3

SMILES

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

InChIKey

DGORTXQWDDXSIQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BFO4/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,12-13H,(H,10,11)

Weigh it out

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

Work with 3-Carboxy-4-fluorophenylboronic 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-(Aminocarbonyl)-4-fluorobenzeneboronic acid874219-34-865 % similar 2-Chloro-5-(dihydroxyboranyl)benzoic acid913835-32-262 % similar 2,5-Difluorobenzoic acid2991-28-860 % similar 4-Fluoro-3-(methoxycarbonyl)phenylboronic acid874219-35-960 % similar 2-Fluoro-5-hydroxybenzoic acid51446-30-158 % similar 4-Carboxy-3-chlorophenylboronic acid136496-72-558 % similar 2-Fluoro-5-iodobenzoic acid124700-41-057 % similar 5-Bromo-2-fluorobenzoic acid146328-85-057 % similar

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

Same formula

4-Carboxy-3-fluorophenylboronic acid120153-08-4 4-Carboxy-2-fluorobenzeneboronic acid851335-07-4 3-Borono-4-fluorobenzoic acid874219-59-7 2-Borono-5-fluorobenzoic acid874290-63-8

Elsewhere

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