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The molecular formula of the compound is C8H3BrF3N.
The molecular weight of the compound is 250.01 g/mol.
The IUPAC name of the compound is 2-bromo-4-(trifluoromethyl)benzonitrile.
The InChI of the compound is InChI=1S/C8H3BrF3N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H.
The InChIKey of the compound is YQDJZASWOJHHGY-UHFFFAOYSA-N.
The canonical SMILES of the compound is C1=CC(=C(C=C1C(F)(F)F)Br)C#N.
The CAS number of the compound is 35764-15-9.
The European Community (EC) number of the compound is 252-715-4.
The XLogP3-AA value of the compound is 3.2.
Yes, the compound is canonicalized.
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