2,6-Dichlorobenzoyl chloride

C₇H₃Cl₃OCAS 4659-45-4209.45 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₇H₃Cl₃O
Molar mass: 209.45 g/mol
Exact mass: 207.9249 Da
Melting point: 208–210 °C
Boiling point: 92–103 °C (at 0.7 Torr)
logP: 3.37Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

4659-45-4

SMILES

O=C(Cl)c1c(Cl)cccc1Cl

InChIKey

JBLIDPPHFGWTKU-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Cl3O/c8-4-2-1-3-5(9)6(4)7(10)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, 2,6-dichloro-

Work with 2,6-Dichlorobenzoyl 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-6-fluorobenzoyl chloride79455-63-370 % similar 2,4,6-Trichlorobenzoyl chloride4136-95-268 % similar Isophthaloyl chloride99-63-856 % similar 2,6-Difluorobenzoyl chloride18063-02-056 % similar 1-(2,6-Dichlorophenyl)ethanone2040-05-352 % similar 2,6-Dichlorobenzoic acid50-30-652 % similar 1,5-Dichloroanthraquinone82-46-252 % similar 6-Chloro-2-fluoro-3-methylbenzoyl chloride261762-82-752 % similar

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

Same formula

2,3-Dichlorobenzoyl chloride2905-60-4 2,5-Dichlorobenzoyl chloride2905-61-5 3,5-Dichlorobenzoyl chloride2905-62-6 3,4-Dichlorobenzoyl chloride3024-72-4 2,3,6-Trichlorobenzaldehyde4659-47-6 2,3,5-Trichlorobenzaldehyde56961-75-2 2,4-Dichlorobenzoyl chloride89-75-8

Elsewhere

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