2,4,6-Trifluorobenzoyl chloride

C₇H₂ClF₃OCAS 79538-29-7194.54 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₇H₂ClF₃O
Molar mass: 194.54 g/mol
Exact mass: 193.9746 Da
logP: 2.48Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

79538-29-7

SMILES

O=C(Cl)c1c(F)cc(F)cc1F

InChIKey

SIFIJQFBERMWMU-UHFFFAOYSA-N

InChI

InChI=1S/C7H2ClF3O/c8-7(12)6-4(10)1-3(9)2-5(6)11/h1-2H

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

Names and synonyms

1 names

Benzoyl chloride, 2,4,6-trifluoro-

Work with 2,4,6-Trifluorobenzoyl 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

2,6-Difluorobenzoyl chloride18063-02-061 % similar 2,3,5,6-Tetrafluorobenzoyl chloride107535-73-959 % similar 2,4-Difluorobenzoyl chloride72482-64-558 % similar 3,5-Difluorobenzoyl chloride129714-97-257 % similar 2,4,6-Trifluorobenzoic acid28314-80-953 % similar 2-Chloro-6-fluorobenzoyl chloride79455-63-353 % similar 2-Chloro-3,6-difluorobenzoyl chloride261762-42-950 % similar 3-Fluorobenzoyl chloride1711-07-547 % similar

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

Same formula

2,3,4-Trifluorobenzoyl chloride157373-08-5 2,3,5-Trifluorobenzoyl chloride240800-48-0

Elsewhere

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