chempirical

2,3,4-Trifluorobenzoyl chloride

C7H2ClF3OCAS 157373-08-5194.54 g/mol

Open in Covalent MOL file
OClFFF
Acyl halideAryl 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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
157373-08-5
SMILES
C1=CC(=C(C(=C1C(=O)Cl)F)F)F
InChIKey
NXRQXCFBZGIRGN-UHFFFAOYSA-N
InChI
InChI=1S/C7H2ClF3O/c8-7(12)3-1-2-4(9)6(11)5(3)10/h1-2H

Weigh it out

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

Work with 2,3,4-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 chloride94695-48-467 % similar 2,3,4-Trifluorobenzoic acid61079-72-956 % similar 2-Fluorobenzoyl chloride393-52-255 % similar 2,4-Difluorobenzoyl chloride72482-64-555 % similar 5-Chloro-2-fluorobenzoyl chloride394-29-653 % similar 4-Chloro-2-fluorobenzoyl chloride394-39-853 % similar 2,6-Difluorobenzoyl chloride18063-02-052 % similar 3-Chloro-2,6-difluorobenzoyl chloride261762-43-051 % similar

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

Same formula

2,3,5-Trifluorobenzoyl chloride240800-48-0 2,4,6-Trifluorobenzoyl chloride79538-29-7

Elsewhere

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