2-Chloro-4,5-difluorobenzoic acid

C₇H₃ClF₂O₂CAS 110877-64-0192.55 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₃ClF₂O₂
Molar mass: 192.55 g/mol
Exact mass: 191.9790 Da
Melting point: 86–88 °C
logP: 2.32Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

110877-64-0

SMILES

O=C(O)c1cc(F)c(F)cc1Cl

InChIKey

CGFMLBSNHNWJAW-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)

Weigh it out

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

Names and synonyms

1 names

Benzoic acid, 2-chloro-4,5-difluoro-

Work with 2-Chloro-4,5-difluorobenzoic 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

2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-170 % similar 2,4,5-Trifluorobenzoic acid446-17-366 % similar 2-Chloro-4-fluoro-5-nitrobenzoic acid114776-15-763 % similar 4,5-Difluoro-2-iodobenzoic acid130137-05-259 % similar 2-Chloro-5-fluorobenzoic acid2252-50-859 % similar 2-Chloro-4-fluorobenzoic acid2252-51-959 % similar 5-Chloro-2-fluorobenzoic acid394-30-959 % similar 4-Chloro-2-fluorobenzoic acid446-30-059 % similar

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

Same formula

5-Chloro-2,4-difluorobenzoic acid130025-33-1 4-Chloro-2,5-difluorobenzoic acid132794-07-1

Elsewhere

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