2-Chloro-3-fluoro-6-(trifluoromethyl)benzoyl chloride

C₈H₂Cl₂F₄OCAS 186517-45-3261.00 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₂Cl₂F₄O
Molar mass: 261.00 g/mol
Exact mass: 259.9419 Da
logP: 3.88Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

186517-45-3

SMILES

O=C(Cl)c1c(C(F)(F)F)ccc(F)c1Cl

InChIKey

QXSLFEJMHHTJAH-UHFFFAOYSA-N

InChI

InChI=1S/C8H2Cl2F4O/c9-6-4(11)2-1-3(8(12,13)14)5(6)7(10)15/h1-2H

Weigh it out

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

Names and synonyms

2 names

Benzoyl chloride, 2-chloro-3-fluoro-6-(trifluoromethyl)-
2,3-Dichloro-6-trifluoromethylbenzoyl chloride

Work with 2-Chloro-3-fluoro-6-(trifluoromethyl)benzoyl 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-Chloro-3,6-difluorobenzoyl chloride261762-42-968 % similar 2-Fluoro-6-(trifluoromethyl)benzoyl chloride109227-12-568 % similar 2,6-Bis(trifluoromethyl)benzoyl chloride53130-44-263 % similar 3-Fluoro-4-(trifluoromethyl)benzoyl chloride216144-68-255 % similar 2-Chloro-6-fluoro-3-methylbenzoyl chloride261762-81-651 % similar 2,6-Difluorobenzoyl chloride18063-02-050 % similar 2-Fluoro-3-(trifluoromethyl)benzoyl chloride208173-19-748 % similar 3-Chloro-2,6-difluorobenzoyl chloride261762-43-046 % similar

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

Same formula

1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone1190865-44-1 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoyl chloride261763-03-5

Elsewhere

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