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Specification
The molecular formula of 2-Chloro-5-(trifluoromethyl)benzyl bromide is C8H5BrClF3.
The molecular weight of 2-Chloro-5-(trifluoromethyl)benzyl bromide is 273.48 g/mol.
The IUPAC name of 2-Chloro-5-(trifluoromethyl)benzyl bromide is 2-(bromomethyl)-1-chloro-4-(trifluoromethyl)benzene.
The InChI of 2-Chloro-5-(trifluoromethyl)benzyl bromide is InChI=1S/C8H5BrClF3/c9-4-5-3-6(8(11,12)13)1-2-7(5)10/h1-3H,4H2.
The InChIKey of 2-Chloro-5-(trifluoromethyl)benzyl bromide is BWOOBQYXRVOJSZ-UHFFFAOYSA-N.
The canonical SMILES of 2-Chloro-5-(trifluoromethyl)benzyl bromide is C1=CC(=C(C=C1C(F)(F)F)CBr)Cl.
The CAS number of 2-Chloro-5-(trifluoromethyl)benzyl bromide is 237761-77-2.
The European Community (EC) number of 2-Chloro-5-(trifluoromethyl)benzyl bromide is 671-866-0.
The DSSTox Substance ID of 2-Chloro-5-(trifluoromethyl)benzyl bromide is DTXSID20371527.
Yes, 2-Chloro-5-(trifluoromethyl)benzyl bromide is a canonicalized compound.