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The molecular formula is C8H6BrF3.
The molecular weight is 239.03 g/mol.
The IUPAC name is (1-bromo-2,2,2-trifluoroethyl)benzene.
The InChI is InChI=1S/C8H6BrF3/c9-7(8(10,11)12)6-4-2-1-3-5-6/h1-5,7H.
The InChIKey is IRICHAOGAOFEQI-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C=C1)C(C(F)(F)F)Br.
The CAS number is 434-42-4.
The EC number is 685-767-5.
The XLogP3-AA value is 3.6.
Yes, (1-Bromo-2,2,2-trifluoroethyl)benzene is a canonicalized compound.
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