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The molecular formula is C7H3BrClF3O2S.
The molecular weight is 323.52 g/mol.
The IUPAC name is 4-bromo-2-(trifluoromethyl)benzenesulfonyl chloride.
The InChI is InChI=1S/C7H3BrClF3O2S/c8-4-1-2-6(15(9,13)14)5(3-4)7(10,11)12/h1-3H.
The InChIKey is YFXYEMZYOMNQLD-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1Br)C(F)(F)F)S(=O)(=O)Cl.
The CAS number is 176225-10-8.
The European Community (EC) number is 625-767-4.
Yes, 4-Bromo-2-(trifluoromethyl)benzenesulfonyl chloride is a canonicalized compound.
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