chempirical

2,4-Difluorobenzoyl chloride

C7H3ClF2OCAS 72482-64-5176.55 g/mol

Open in Covalent MOL file
OClFF
Acyl halideAryl halide

Properties

Molecular formula
C7H3ClF2O
Molar mass
176.55 g/mol
Exact mass
175.9840 Da
Melting point
70–71 °C
Boiling point
68–70 °C (at 19 Torr)
logP
2.34Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
72482-64-5
SMILES
O=C(Cl)c1ccc(F)cc1F
InChIKey
JSWRVDNTKPAJLB-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClF2O/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3H

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Names and synonyms

3 names
  • Benzoyl chloride, 2,4-difluoro-
  • 2,4-Difluorobenzoyl chloride acid chloride
  • 2,4-Difluorobenzoic acid chloride

Work with 2,4-Difluorobenzoyl chloride

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

4-Chloro-2-fluorobenzoyl chloride394-39-866 % similar 2,3,5-Trifluorobenzoyl chloride240800-48-061 % similar 2-Fluoro-4-(trifluoromethyl)benzoyl chloride126917-10-060 % similar 2-Bromo-5-fluorobenzoyl chloride111771-13-259 % similar 2-Fluorobenzoyl chloride393-52-258 % similar 2,4,6-Trifluorobenzoyl chloride79538-29-758 % similar 2,4-Difluorobenzoic acid1583-58-058 % similar 1-(2,4-Difluorophenyl)ethanone364-83-058 % similar

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

Same formula

3-Chloro-2,4-difluorobenzaldehyde127675-46-1 3,5-Difluorobenzoyl chloride129714-97-2 2,6-Difluorobenzoyl chloride18063-02-0 2-Chloro-3,6-difluorobenzaldehyde261762-39-4 2,5-Difluorobenzoyl chloride35730-09-7 3,4-Difluorobenzoyl chloride76903-88-3

Elsewhere

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