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The molecular formula is C7H3BrClF3.
The molecular weight is 259.45 g/mol.
The IUPAC name is 2-bromo-1-chloro-4-(trifluoromethyl)benzene.
The InChI is InChI=1S/C7H3BrClF3/c8-5-3-4(7(10,11)12)1-2-6(5)9/h1-3H.
The InChIKey is APSISOSWYXCEQX-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1C(F)(F)F)Br)Cl.
The CAS number is 454-78-4.
The EC number is 207-226-0.
The DSSTox Substance ID is DTXSID80196495.
Yes, 3-Bromo-4-chlorobenzotrifluoride is a canonicalized compound.
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