16681-80-4 Purity
96%
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Specification
The molecular formula is C4HBrCl2O2S2.
The molecular weight is 296.0 g/mol.
It was created on July 19, 2005.
It was last modified on December 2, 2023.
The IUPAC name is 4-bromo-5-chlorothiophene-2-sulfonyl chloride.
The InChI is InChI=1S/C4HBrCl2O2S2/c5-2-1-3(10-4(2)6)11(7,8)9/h1H.
The InChIKey is PABOKJJDABSQCK-UHFFFAOYSA-N.
The canonical SMILES is C1=C(SC(=C1Br)Cl)S(=O)(=O)Cl.
The CAS number is 166964-35-8.
The molecular weight is 296.0 g/mol, XLogP3-AA is 3.6, and the hydrogen bond donor count is 0.