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The molecular formula is C9H8BrF3.
The molecular weight is 253.06 g/mol.
The IUPAC name is 1-(2-bromoethyl)-4-(trifluoromethyl)benzene.
The InChI code is InChI=1S/C9H8BrF3/c10-6-5-7-1-3-8(4-2-7)9(11,12)13/h1-4H,5-6H2.
The InChIKey is WTCVMJLGKMOROW-UHFFFAOYSA-N.
The canonical SMILES representation is C1=CC(=CC=C1CCBr)C(F)(F)F.
The CAS number is 130365-87-6.
The XLogP3-AA value is 3.8.
It has 3 hydrogen bond acceptor counts.
Yes, it is the canonicalized form.
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