chempirical

3,4-Dichlorophenylmethanesulfonyl chloride

C7H5Cl3O2SCAS 85952-30-3259.53 g/mol

Open in Covalent MOL file
OSOClClCl
Aryl halide

Properties

Molecular formula
C7H5Cl3O2S
Molar mass
259.53 g/mol
Exact mass
257.9076 Da
Melting point
67–69 °C
logP
3.06Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
85952-30-3
SMILES
O=S(=O)(Cl)Cc1ccc(Cl)c(Cl)c1
InChIKey
DRYGYFAFCNDLEJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Cl3O2S/c8-6-2-1-5(3-7(6)9)4-13(10,11)12/h1-3H,4H2

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Names and synonyms

3 names
  • Benzenemethanesulfonyl chloride, 3,4-dichloro-
  • 3,4-Dichlorobenzenemethanesulfonyl chloride
  • 1-(3,4-Dichlorophenyl)methanesulfonyl chloride

Work with 3,4-Dichlorophenylmethanesulfonyl 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

(4-Chlorophenyl)methanesulfonyl chloride6966-45-658 % similar Benzenemethanesulfonyl chloride1939-99-752 % similar (4-Fluoro-phenyl)-methanesulfonyl chloride103360-04-952 % similar 3,4-Dichlorobenzyl chloride102-47-648 % similar 3,4-Dichlorobenzenemethanamine102-49-847 % similar 3,4-Dichlorobenzenemethanol1805-32-947 % similar 3,4-Dichlorobenzyl bromide18880-04-147 % similar 4-Nitrobenzenemethanesulfonyl chloride4025-75-645 % similar

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

Same formula

2,4-Dichloro-5-methylbenzenesulfonyl chloride28286-86-4

Elsewhere

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