3-Borono-4-fluorobenzoic acid

C₇H₆BFO₄CAS 874219-59-7183.93 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

874219-59-7

SMILES

O=C(O)c1ccc(F)c(B(O)O)c1

InChIKey

YLZPFWJYAFZZHF-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 3-borono-4-fluoro-
5-Carboxy-2-fluorophenylboronic acid

Work with 3-Borono-4-fluorobenzoic 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-Fluoro-5-acetylphenylboronic acid870777-29-065 % similar 3,4-Difluorobenzoic acid455-86-764 % similar 3-Borono-4-chlorobenzoic acid913835-75-362 % similar 4-Borono-3-chlorobenzoic acid851335-09-658 % similar 3-Amino-4-fluorobenzoic acid2365-85-757 % similar 4-Fluoro-3-methylbenzoic acid403-15-657 % similar 3-Chloro-4-fluorobenzoic acid403-16-757 % similar 3-Fluoro-4-hydroxybenzoic acid350-29-854 % similar

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

Same formula

4-Carboxy-3-fluorophenylboronic acid120153-08-4

Elsewhere

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