CAS
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Specification
The molecular formula is C7H3F3N2S.
The molecular weight is 204.17 g/mol.
The IUPAC name is 5-(trifluoromethyl)-2,1,3-benzothiadiazole.
The InChI is InChI=1S/C7H3F3N2S/c8-7(9,10)4-1-2-5-6(3-4)12-13-11-5/h1-3H.
The InChIKey is KUFWKXPZEWUROO-UHFFFAOYSA-N.
The canonical SMILES is C1=CC2=NSN=C2C=C1C(F)(F)F.
The CAS number is 17754-05-1.
The European Community (EC) number is 671-959-6.
The DSSTox Substance ID is DTXSID80380519.
Yes, it is a canonicalized compound.