chempirical

3-Bromobenzenesulfonyl chloride

C6H4BrClO2SCAS 2905-24-0255.51 g/mol

Open in Covalent MOL file
BrSOOCl
Aryl halide

Properties

Molecular formula
C6H4BrClO2S
Molar mass
255.51 g/mol
Exact mass
253.8804 Da
logP
2.38Crippen estimate
Polar surface area
34.1 Ų
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
2905-24-0
SMILES
C1=CC(=CC(=C1)Br)S(=O)(=O)Cl
InChIKey
PJGOLCXVWIYXRQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrClO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H

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Names and synonyms

1 names
  • m-Bromobenzenesulphonyl chloride

Work with 3-Bromobenzenesulfonyl 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

1,3-Benzenedisulfonyl dichloride585-47-769 % similar 3-Chlorobenzenesulfonyl chloride2888-06-460 % similar 3-Fluorobenzenesulfonyl chloride701-27-958 % similar M-Toluenesulfonyl chloride1899-93-056 % similar 3-Bromophenylmethylsulfone34896-80-556 % similar 3-Bromobenzene-1-sulfonamide89599-01-956 % similar 3-(Methylsulfonyl)benzenesulfonyl chloride5335-40-055 % similar 5-Bromopyridine-3-sulfonyl chloride65001-21-055 % similar

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

Same formula

2-Bromobenzenesulphonyl chloride2905-25-1 4-Bromobenzenesulfonyl chloride98-58-8

Elsewhere

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