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Specification
The molecular formula of 2-Chloro-5-trifluoromethylbenzyl chloride is C8H5Cl2F3.
The molecular weight of 2-Chloro-5-trifluoromethylbenzyl chloride is 229.02 g/mol.
The IUPAC name of 2-Chloro-5-trifluoromethylbenzyl chloride is 1-chloro-2-(chloromethyl)-4-(trifluoromethyl)benzene.
The InChI of 2-Chloro-5-trifluoromethylbenzyl chloride is InChI=1S/C8H5Cl2F3/c9-4-5-3-6(8(11,12)13)1-2-7(5)10/h1-3H,4H2.
The InChIKey of 2-Chloro-5-trifluoromethylbenzyl chloride is HIWZQKSEJHGZAZ-UHFFFAOYSA-N.
The canonical SMILES of 2-Chloro-5-trifluoromethylbenzyl chloride is C1=CC(=C(C=C1C(F)(F)F)CCl)Cl.
The CAS number of 2-Chloro-5-trifluoromethylbenzyl chloride is 22902-87-0.
The EC number of 2-Chloro-5-trifluoromethylbenzyl chloride is 675-116-3.
The XLogP3-AA value of 2-Chloro-5-trifluoromethylbenzyl chloride is 3.8.
Yes, 2-Chloro-5-trifluoromethylbenzyl chloride is a canonicalized compound.