4-Carboxy-2-fluorobenzeneboronic acid

C₇H₆BFO₄CAS 851335-07-4183.93 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

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

851335-07-4

SMILES

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

InChIKey

TVNVDRMGOOLVOX-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BFO4/c9-6-3-4(7(10)11)1-2-5(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

1 names

4-(Dihydroxyboranyl)-3-fluorobenzoic acid

Work with 4-Carboxy-2-fluorobenzeneboronic 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

3,4-Difluorobenzoic acid455-86-764 % similar 4-Borono-3-chlorobenzoic acid851335-09-662 % similar 2-Fluoro-4-(methoxycarbonyl)benzeneboronic acid603122-84-560 % similar 3-Fluoro-4-hydroxybenzoic acid350-29-858 % similar 3-Borono-4-chlorobenzoic acid913835-75-358 % similar 4-Bromo-3-fluorobenzoic acid153556-42-457 % similar 3-Fluoro-4-methylbenzoic acid350-28-757 % similar 4-Chloro-3-fluorobenzoic acid403-17-857 % similar

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

Same formula

4-Carboxy-3-fluorophenylboronic acid120153-08-4 3-Carboxy-4-fluorophenylboronic acid872460-12-3 3-Borono-4-fluorobenzoic acid874219-59-7 2-Borono-5-fluorobenzoic acid874290-63-8

Elsewhere

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