4-Carboxy-3-fluorophenylboronic acid

C₇H₆BFO₄CAS 120153-08-4183.93 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

Identifiers

CAS number

120153-08-4

SMILES

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

InChIKey

CZDWJVSOQOMYGC-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BFO4/c9-6-3-4(8(12)13)1-2-5(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 4-Carboxy-3-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

2,4-Difluorobenzoic acid1583-58-060 % similar [3-Fluoro-4-(methoxycarbonyl)phenyl]boronic acid505083-04-560 % similar 2-Fluoro-4-hydroxybenzoic acid65145-13-358 % similar 4-Bromo-2-fluorobenzoic acid112704-79-757 % similar 2-Fluoro-4-iodobenzoic acid124700-40-957 % similar 4-Chloro-2-fluorobenzoic acid446-30-057 % similar (3,4-Difluorophenyl)boronic acid168267-41-255 % similar 2-Fluoro-4-(trifluoromethyl)benzoic acid115029-24-854 % similar

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

Same formula

3-Borono-4-fluorobenzoic acid874219-59-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook