2,3,5-Trifluorobenzoyl chloride

C₇H₂ClF₃OCAS 240800-48-0194.54 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

240800-48-0

SMILES

O=C(Cl)c1cc(F)cc(F)c1F

InChIKey

QTIPHWWHHRFTNO-UHFFFAOYSA-N

InChI

InChI=1S/C7H2ClF3O/c8-7(12)4-1-3(9)2-5(10)6(4)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, 2,3,5-trifluoro-

Work with 2,3,5-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

2,3,4,5-Tetrafluorobenzoyl chloride94695-48-468 % similar 2,3,5,6-Tetrafluorobenzoyl chloride107535-73-961 % similar 2,4-Difluorobenzoyl chloride72482-64-561 % similar 2,4,5-Trifluoro-3-methoxybenzoyl chloride112811-66-255 % similar 3,5-Difluorobenzoyl chloride129714-97-250 % similar 1,2,3,5-Tetrafluorobenzene2367-82-050 % similar 2-Bromo-5-fluorobenzoyl chloride111771-13-249 % similar 4-Chloro-2,5-difluorobenzoyl chloride132794-08-247 % similar

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

Same formula

2,3,4-Trifluorobenzoyl chloride157373-08-5 2,4,6-Trifluorobenzoyl chloride79538-29-7

Elsewhere

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