3-Chloro-2,4-difluorobenzoic acid

C₇H₃ClF₂O₂CAS 154257-75-7192.55 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

154257-75-7

SMILES

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

InChIKey

YGYZTZAEZMCPSC-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3-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

2,3,4-Trifluorobenzoic acid61079-72-969 % similar 3-Chloro-2,4,5-trifluorobenzoic acid101513-77-366 % similar 2,3-Difluorobenzoic acid4519-39-562 % similar 2,4-Difluoro-3-methylbenzoic acid112857-68-861 % similar 2,6-Dichloro-3-fluorobenzoic acid178813-78-057 % similar 5-Chloro-2-fluorobenzoic acid394-30-954 % similar 4-Chloro-2-fluorobenzoic acid446-30-054 % similar 3,4-Difluoro-2-methoxybenzoic acid875664-52-153 % 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 4-Chloro-2,3-difluorobenzoic acid150444-94-3 3-Chloro-4,5-difluorobenzoic acid150444-95-4

Elsewhere

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