4-Chloro-2,5-difluorobenzoic acid

C₇H₃ClF₂O₂CAS 132794-07-1192.55 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
logP: 2.32Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

132794-07-1

SMILES

C1=C(C(=CC(=C1F)Cl)F)C(=O)O

InChIKey

PEPCYJSDHYMIFN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-Chloro-2,5-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

2,4,5-Trifluorobenzoic acid446-17-369 % similar 4-Chloro-2,5-difluorobenzoyl chloride132794-08-261 % similar 2,5-Difluoro-4-methylbenzoic acid103877-80-159 % similar 4-Bromo-2,5-difluorobenzoic acid28314-82-159 % similar 5-Chloro-2-fluorobenzoic acid394-30-957 % similar 3-Chloro-4-fluorobenzoic acid403-16-757 % similar 4-Chloro-3-fluorobenzoic acid403-17-857 % similar 4-Chloro-2-fluorobenzoic acid446-30-057 % similar

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

Same formula

2-Chloro-4,5-difluorobenzoic acid110877-64-0 5-Chloro-2,4-difluorobenzoic acid130025-33-1 4-Chloro-2,3-difluorobenzoic acid150444-94-3 3-Chloro-4,5-difluorobenzoic acid150444-95-4 3-Chloro-2,4-difluorobenzoic acid154257-75-7

Elsewhere

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