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The molecular formula is C9H8BrF3.
The molecular weight is 253.06 g/mol.
The IUPAC name is 1-(2-bromoethyl)-2-(trifluoromethyl)benzene.
The InChI is InChI=1S/C9H8BrF3/c10-6-5-7-3-1-2-4-8(7)9(11,12)13/h1-4H,5-6H2.
The InChIKey is QECZMYGJNDGESU-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC=C(C(=C1)CCBr)C(F)(F)F.
The CAS number is 94022-95-4.
The UNII is H42AYQ2XFZ.
Yes, it is canonicalized.
1-Bromo-2-fluorocyclohexane
4-Bromo-1,1,1-trifluorobutane
3-Chloro-1,1,1-trifluoropropane
765-91-3
98577-44-7
112-82-3
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