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PubChem CID 2778613
The molecular formula is C7H3BrClF3O2S.
The molecular weight is 323.52 g/mol.
The IUPAC name is 2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride.
The InChI is InChI=1S/C7H3BrClF3O2S/c8-5-2-1-4(7(10,11)12)3-6(5)15(9,13)14/h1-3H.
The InChIKey is CBIFOAHDKKGDAC-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC(=C(C=C1C(F)(F)F)S(=O)(=O)Cl)Br.
The CAS number is 176225-08-4.
Yes, it is considered a canonicalized compound according to PubChem.
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