2,4,5-Trifluorobenzoyl chloride

C₇H₂ClF₃OCAS 88419-56-1194.54 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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

88419-56-1

SMILES

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

InChIKey

STBGCAUUOPNJBH-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 2,4,5-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

4-Chloro-2,5-difluorobenzoyl chloride132794-08-271 % similar 2,3,4,5-Tetrafluorobenzoyl chloride94695-48-462 % similar 2,5-Difluorobenzoyl chloride35730-09-760 % similar 2,4-Difluorobenzoyl chloride72482-64-560 % similar 2,4-Dichloro-5-fluorobenzoyl chloride86393-34-260 % similar 5-Chloro-2-fluorobenzoyl chloride394-29-658 % similar 4-Chloro-2-fluorobenzoyl chloride394-39-858 % similar 2-Fluoro-4-(trifluoromethyl)benzoyl chloride126917-10-058 % similar

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

Same formula

2,3,4-Trifluorobenzoyl chloride157373-08-5 3,4,5-Trifluorobenzoyl chloride177787-26-7 2,3,6-Trifluorobenzoyl chloride189807-20-3 2,3,5-Trifluorobenzoyl chloride240800-48-0 2,4,6-Trifluorobenzoyl chloride79538-29-7

Elsewhere

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