chempirical

2,4-Dibromobenzenesulfonyl chloride

C6H3Br2ClO2SCAS 72256-95-2334.41 g/mol

Open in Covalent MOL file
BrBrSOOCl
Aryl halide

Properties

Molecular formula
C6H3Br2ClO2S
Molar mass
334.41 g/mol
Exact mass
331.7909 Da
logP
3.14Crippen 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
72256-95-2
SMILES
C1=CC(=C(C=C1Br)Br)S(=O)(=O)Cl
InChIKey
OMOXIKAWVFDFNX-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Br2ClO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H

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Work with 2,4-Dibromobenzenesulfonyl 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-Bromo-2-chlorobenzenesulfonyl chloride351003-52-666 % similar 4-Bromo-2-methylbenzene-1-sulfonyl chloride139937-37-464 % similar 4-Bromo-2-fluorobenzene-1-sulfonyl chloride216159-03-464 % similar 2-Bromo-4-fluorobenzene-1-sulfonyl chloride351003-45-764 % similar 2-Bromobenzenesulphonyl chloride2905-25-160 % similar 4-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride176225-10-858 % similar 2-Bromo-4-(trifluoromethyl)benzenesulfonyl chloride54403-98-458 % similar 5-Bromo-2-methoxybenzenesulfonyl chloride23095-05-854 % similar

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

Same formula

2,5-Dibromobenzenesulfonyl chloride23886-64-8

Elsewhere

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