2,3,6-Trifluorobenzoyl chloride

C₇H₂ClF₃OCAS 189807-20-3194.54 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

189807-20-3

SMILES

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

InChIKey

DMUGJQMADYEWSQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 2,3,6-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

3-Chloro-2,6-difluorobenzoyl chloride261762-43-073 % similar 2,6-Difluoro-3-methylbenzoyl chloride261763-39-771 % similar 2,6-Difluorobenzoyl chloride18063-02-070 % similar 2,3,5,6-Tetrafluorobenzoyl chloride107535-73-968 % similar 2-Chloro-3,6-difluorobenzoyl chloride261762-42-963 % similar 2,3,6-Trifluorobenzamide207986-22-957 % similar 2,3-Difluorobenzoyl chloride18355-73-256 % similar 2-Chloro-6-fluorobenzoyl chloride79455-63-356 % 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 2,3,5-Trifluorobenzoyl chloride240800-48-0 2,4,6-Trifluorobenzoyl chloride79538-29-7 2,4,5-Trifluorobenzoyl chloride88419-56-1

Elsewhere

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