3-Chloro-4,5-difluorobenzoic acid

C₇H₃ClF₂O₂CAS 150444-95-4192.55 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

150444-95-4

SMILES

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

InChIKey

RRJYBDSJDKWHOS-UHFFFAOYSA-N

InChI

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

3,4,5-Trifluorobenzoic acid121602-93-573 % similar 3-Chloro-4-fluorobenzoic acid403-16-763 % similar 4-Chloro-3-fluorobenzoic acid403-17-863 % similar 3-Bromo-4,5-difluorobenzoic acid1244642-73-661 % similar 3,4,5-Trichlorobenzoic acid51-39-858 % similar 3,5-Dichloro-4-hydroxybenzoic acid3336-41-256 % similar 4-Amino-3,5-dichlorobenzoic acid56961-25-254 % similar 2,3,5,6-Tetrafluorobenzoic acid652-18-653 % 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-2,4-difluorobenzoic acid154257-75-7

Elsewhere

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