5-Chloro-2-fluorobenzoyl chloride

C₇H₃Cl₂FOCAS 394-29-6193.00 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₇H₃Cl₂FO
Molar mass: 193.00 g/mol
Exact mass: 191.9545 Da
Boiling point: 103–104 °C (at 15 Torr)
logP: 2.86Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

394-29-6

SMILES

O=C(Cl)c1cc(Cl)ccc1F

InChIKey

VWGAATKTEAKOCO-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Cl2FO/c8-4-1-2-6(10)5(3-4)7(9)11/h1-3H

Weigh it out

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

Names and synonyms

2 names

Benzoyl chloride, 5-chloro-2-fluoro-
3-Chloro-6-fluorobenzoyl chloride

Work with 5-Chloro-2-fluorobenzoyl 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

2,5-Difluorobenzoyl chloride35730-09-766 % similar 2,5-Dichlorobenzoyl chloride2905-61-563 % similar 5-Chloro-2-fluorobenzoic acid394-30-962 % similar 2,4-Dichlorobenzoyl chloride89-75-858 % similar 2-Fluorobenzoyl chloride393-52-256 % similar 4-Chloro-2,5-difluorobenzoyl chloride132794-08-256 % similar 2,4-Difluorobenzoyl chloride72482-64-551 % similar 2,4-Dichloro-5-fluorobenzoyl chloride86393-34-251 % similar

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

Same formula

4-Chloro-2-fluorobenzoyl chloride394-39-8 2-Chloro-6-fluorobenzoyl chloride79455-63-3

Elsewhere

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