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Specification
The molecular formula is C8H5BrClF3.
The molecular weight is 273.48 g/mol.
The IUPAC name is 2-(bromomethyl)-4-chloro-1-(trifluoromethyl)benzene.
The InChI is InChI=1S/C8H5BrClF3/c9-4-5-3-6(10)1-2-7(5)8(11,12)13/h1-3H,4H2.
The InChIKey is OUNFGTVHRCWPKY-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1Cl)CBr)C(F)(F)F.
The CAS number is 261763-24-0.
The European Community (EC) number is 670-763-8.
The DSSTox Substance ID is DTXSID30380781.
Yes, 5-Chloro-2-(trifluoromethyl)benzyl bromide is canonicalized according to PubChem.