CAS
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Specification
The molecular formula is C8H5BrClF3.
The molecular weight is 273.48 g/mol.
The IUPAC name is 4-(bromomethyl)-1-chloro-2-(trifluoromethyl)benzene.
The InChI is InChI=1S/C8H5BrClF3/c9-4-5-1-2-7(10)6(3-5)8(11,12)13/h1-3H,4H2.
The InChIKey is LZLIPLUATRVXSB-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC(=C(C=C1CBr)C(F)(F)F)Cl.
The CAS number is 261763-23-9.
The EC number is 670-760-1.
The XLogP3-AA value is 4.
Yes, 4-Chloro-3-(trifluoromethyl)benzyl bromide is a canonicalized compound.