CAS
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Specification
The molecular formula is C8H5BrF4.
The molecular weight is 257.02 g/mol.
The IUPAC name is 4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene.
The InChI is InChI=1S/C8H5BrF4/c9-4-5-1-2-7(10)6(3-5)8(11,12)13/h1-3H,4H2.
The InChIKey is JVQDTRQMKZMBAU-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1CBr)C(F)(F)F)F.
The CAS number is 184970-26-1.
The European Community (EC) number is 642-605-8.
Yes, it is a canonicalized compound.