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Specification
The PubChem CID of 3,5-Bis(trifluoromethyl)benzyl chloride is 123576.
The molecular formula of 3,5-Bis(trifluoromethyl)benzyl chloride is C9H5ClF6.
The molecular weight of 3,5-Bis(trifluoromethyl)benzyl chloride is 262.58 g/mol.
The IUPAC name of 3,5-Bis(trifluoromethyl)benzyl chloride is 1-(chloromethyl)-3,5-bis(trifluoromethyl)benzene.
The InChI of 3,5-Bis(trifluoromethyl)benzyl chloride is InChI=1S/C9H5ClF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2.
The InChIKey of 3,5-Bis(trifluoromethyl)benzyl chloride is OINTXXMBRBLMHH-UHFFFAOYSA-N.
The canonical SMILES of 3,5-Bis(trifluoromethyl)benzyl chloride is C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CCl.
The CAS number of 3,5-Bis(trifluoromethyl)benzyl chloride is 75462-59-8.
The European Community (EC) number of 3,5-Bis(trifluoromethyl)benzyl chloride is 278-216-1.
Yes, 3,5-Bis(trifluoromethyl)benzyl chloride is a canonicalized compound.
Reference: [1]Shum; Peet; Weintraub; Le; Zhao; Barbone; Cashman; Tsay; Dwyer; Loos; Powers; Kropp; Wright; Bitonti; Dumont; Borcherding
[Nucleosides, nucleotides and nucleic acids, 2001, vol. 20, # 4-7, p. 1067 - 1078]
* For details of the synthesis route, please refer to the original source to ensure accuracy.