3-Chloro-4-fluorobenzenesulphonyl chloride

C₆H₃Cl₂FO₂SCAS 91170-93-3229.05 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃Cl₂FO₂S
Molar mass: 229.05 g/mol
Exact mass: 227.9215 Da
logP: 2.41Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

91170-93-3

SMILES

C1=CC(=C(C=C1S(=O)(=O)Cl)Cl)F

InChIKey

DXFXNSNBZNELII-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Cl2FO2S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3H

Weigh it out

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Names and synonyms

1 names

3-Chloro-4-fluorobenzenesulfonyl chloride

Work with 3-Chloro-4-fluorobenzenesulphonyl 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

3,4-Difluorobenzenesulfonyl chloride145758-05-070 % similar 3,4-Dichlorobenzenesulfonyl chloride98-31-767 % similar 4-Fluoro-3-methylbenzenesulfonyl chloride629672-19-162 % similar 3-Chloro-4-methylbenzenesulfonyl chloride42413-03-659 % similar 4-Fluoro-3-(trifluoromethyl)benzenesulfonyl Chloride1682-10-658 % similar 4-Bromo-3-fluorobenzenesulfonyl chloride351003-51-557 % similar 3-Fluoro-4-methylbenzenesulfonyl chloride90260-13-257 % similar 3-Cyano-4-fluorobenzenesulfonyl chloride351003-23-157 % similar

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

Same formula

4-Chloro-2-fluorobenzene-1-sulfonyl chloride141337-26-0 3-Chloro-2-fluorobenzenesulfonyl chloride351003-48-0 5-Chloro-2-fluorobenzenesulfonyl chloride351003-49-1 2-Chloro-4-fluorobenzenesulfonyl chloride85958-57-2

Elsewhere

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