4-Bromo-2,6-dichlorobenzene-1-sulfonyl chloride

C₆H₂BrCl₃O₂SCAS 351003-54-8324.39 g/mol

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Properties

Molecular formula: C₆H₂BrCl₃O₂S
Molar mass: 324.39 g/mol
Exact mass: 321.8024 Da
logP: 3.68Crippen 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

351003-54-8

SMILES

C1=C(C=C(C(=C1Cl)S(=O)(=O)Cl)Cl)Br

InChIKey

CKJIKXAPXLPSCL-UHFFFAOYSA-N

InChI

InChI=1S/C6H2BrCl3O2S/c7-3-1-4(8)6(5(9)2-3)13(10,11)12/h1-2H

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Names and synonyms

1 names

4-Bromo-2,6-dichlorobenzenesulfonyl chloride

Work with 4-Bromo-2,6-dichlorobenzene-1-sulfonyl 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

2,4,6-Trichlorobenzenesulfonyl chloride51527-73-264 % similar 2,6-Dichlorobenzenesulfonylchloride6579-54-063 % similar 4-Bromo-2-chlorobenzenesulfonyl chloride351003-52-659 % similar 2,6-Dichloro-4-(trifluoromethyl)benzenesulfonyl chloride175205-76-255 % similar 3-Bromobenzenesulfonyl chloride2905-24-048 % similar 2,5-Dibromobenzenesulfonyl chloride23886-64-847 % similar 5-Bromo-1,2,3-trichlorobenzene21928-51-846 % similar 2,4,5-Trichlorobenzenesulfonyl chloride15945-07-045 % similar

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

Elsewhere

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