5-Chloro-2,4-difluorobenzoic acid

C₇H₃ClF₂O₂CAS 130025-33-1192.55 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

130025-33-1

SMILES

C1=C(C(=CC(=C1Cl)F)F)C(=O)O

InChIKey

VXBQLSVFGIFOPQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 5-Chloro-2,4-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 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-162 % similar 4,5-Dichlorophthalic acid56962-08-462 % similar 5-Bromo-2,4-difluorobenzoic acid28314-83-259 % 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 4-Chloro-2,5-difluorobenzoic acid132794-07-1

Elsewhere

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