CAS
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Specification
The molecular formula is C6H3BrCl2O2S.
The molecular weight is 289.96 g/mol.
The IUPAC name is 4-bromo-3-chlorobenzenesulfonyl chloride.
The InChI key is FSNCFUWFJZQPTR-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1S(=O)(=O)Cl)Cl)Br.
The CAS number is 874801-46-4.
The European Community (EC) number is 674-859-0.
The XLogP3-AA value is 3.3.
The hydrogen bond donor count is 0.
Yes, it is a canonicalized compound.