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Specification
The molecular formula is C9H8BrF3.
The synonyms are 261952-16-3, 1-(bromomethyl)-2-methyl-3-(trifluoromethyl)benzene, and Benzene, 1-(bromomethyl)-2-methyl-3-(trifluoromethyl).
The molecular weight is 253.06 g/mol.
The IUPAC name is 1-(bromomethyl)-2-methyl-3-(trifluoromethyl)benzene.
The InChI is InChI=1S/C9H8BrF3/c1-6-7(5-10)3-2-4-8(6)9(11,12)13/h2-4H,5H2,1H3.
The InChIKey is YSABBOPLIUMXKY-UHFFFAOYSA-N.
The canonical SMILES is CC1=C(C=CC=C1C(F)(F)F)CBr.
The CAS number is 261952-16-3.
The EC Number is 679-143-1.
Yes, it is canonicalized.