4-Chloro-2,3-difluorobenzoic acid

C₇H₃ClF₂O₂CAS 150444-94-3192.55 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

150444-94-3

SMILES

C1=CC(=C(C(=C1C(=O)O)F)F)Cl

InChIKey

QVBXFZBWNWTMNO-UHFFFAOYSA-N

InChI

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

2,3,4-Trifluorobenzoic acid61079-72-963 % similar 4-Amino-2,3-difluorobenzoic acid194804-85-859 % similar 2-Chloro-5-fluorobenzoic acid2252-50-857 % similar 2-Chloro-4-fluorobenzoic acid2252-51-957 % similar 2,3-Difluorobenzoic acid4519-39-556 % similar 4-Chloronaphthalene-1-carboxylic acid1013-04-354 % similar 3-Bromo-2-fluorobenzoic acid161957-56-854 % similar 2-Chloro-4-hydroxybenzoic acid56363-84-954 % 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-2,5-difluorobenzoic acid132794-07-1 3-Chloro-4,5-difluorobenzoic acid150444-95-4 3-Chloro-2,4-difluorobenzoic acid154257-75-7

Elsewhere

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