2-Chloro-6-fluorobenzoyl chloride

C₇H₃Cl₂FOCAS 79455-63-3193.00 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
logP: 2.86Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

79455-63-3

SMILES

O=C(Cl)c1c(F)cccc1Cl

InChIKey

GFNAJZAKJGKJCS-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

Benzoyl chloride, 2-chloro-6-fluoro-

Work with 2-Chloro-6-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

2,6-Difluorobenzoyl chloride18063-02-078 % similar 2,6-Dichlorobenzoyl chloride4659-45-470 % similar 3-Chloro-2,6-difluorobenzoyl chloride261762-43-064 % similar 2-Chloro-6-fluorobenzoic acid434-75-361 % similar 2-Fluoro-6-(trifluoromethyl)benzoyl chloride109227-12-560 % similar 2-Chloro-3,6-difluorobenzoyl chloride261762-42-959 % similar 2,3,5,6-Tetrafluorobenzoyl chloride107535-73-953 % similar 2-Fluorobenzoyl chloride393-52-253 % similar

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

Same formula

5-Chloro-2-fluorobenzoyl chloride394-29-6 4-Chloro-2-fluorobenzoyl chloride394-39-8

Elsewhere

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