2,5-Difluorobenzoyl chloride

C₇H₃ClF₂OCAS 35730-09-7176.55 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₇H₃ClF₂O
Molar mass: 176.55 g/mol
Exact mass: 175.9840 Da
Melting point: 73–74 °C
Boiling point: 74–78 °C (at 15 Torr)
logP: 2.34Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

35730-09-7

SMILES

O=C(Cl)c1cc(F)ccc1F

InChIKey

RLRUKKDFNWXXRT-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClF2O/c8-7(11)5-3-4(9)1-2-6(5)10/h1-3H

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

Names and synonyms

1 names

Benzoyl chloride, 2,5-difluoro-

Work with 2,5-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

5-Chloro-2-fluorobenzoyl chloride394-29-666 % similar 2-Bromo-5-fluorobenzoyl chloride111771-13-264 % similar 2,3,5-Trifluorobenzoyl chloride240800-48-061 % similar 2-Fluorobenzoyl chloride393-52-258 % similar 1-(2,5-Difluorophenyl)ethanone1979-36-858 % similar 2,5-Difluorobenzoic acid2991-28-858 % similar 2-Chloro-1-(2,5-difluorophenyl)ethanone60468-36-257 % similar 2,4,6-Trifluorobenzoyl chloride79538-29-753 % 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 2,4-Difluorobenzoyl chloride72482-64-5 3,4-Difluorobenzoyl chloride76903-88-3

Elsewhere

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