4-Bromo-2-chlorobenzenesulfonyl chloride

C6H3BrCl2O2SCAS 351003-52-6289.95 g/mol

Open in Covalent MOL file
BrClSOOCl
Aryl halide

Properties

Molecular formula
C6H3BrCl2O2S
Molar mass
289.95 g/mol
Exact mass
287.8414 Da
logP
3.03Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
351003-52-6
SMILES
C1=CC(=C(C=C1Br)Cl)S(=O)(=O)Cl
InChIKey
OECYEHWJPRPCOH-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrCl2O2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H

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Work with 4-Bromo-2-chlorobenzenesulfonyl 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

2,5-Dibromobenzenesulfonyl chloride23886-64-866 % similar 2,4-Dibromobenzenesulfonyl chloride72256-95-266 % similar 2,4-Dichlorobenzenesulfonyl chloride16271-33-363 % similar 4-Bromo-2-methylbenzene-1-sulfonyl chloride139937-37-462 % similar 4-Bromo-2-fluorobenzene-1-sulfonyl chloride216159-03-462 % similar 4-Bromo-2,6-dichlorobenzene-1-sulfonyl chloride351003-54-859 % similar 2-Chloro-4-fluorobenzenesulfonyl chloride85958-57-259 % similar 2-Chlorobenzenesulfonyl chloride2905-23-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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