2-Borono-5-fluorobenzoic acid

C₇H₆BFO₄CAS 874290-63-8183.93 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

874290-63-8

SMILES

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

InChIKey

FMVANIKYUYQABO-UHFFFAOYSA-N

InChI

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

4-Fluorophthalic acid320-97-864 % similar 2-Bromo-5-fluorobenzoic acid394-28-561 % similar 2,5-Difluorobenzoic acid2991-28-860 % similar 5-Fluorosalicylic acid345-16-458 % similar 2-Carboxyphenylboronic acid149105-19-157 % similar 2-Chloro-5-fluorobenzoic acid2252-50-857 % similar 5-Fluoro-2-methylbenzoic acid33184-16-657 % similar 2-Amino-5-fluorobenzoic acid446-08-257 % 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-Carboxy-4-fluorophenylboronic acid872460-12-3 3-Borono-4-fluorobenzoic acid874219-59-7

Elsewhere

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