959245-76-2 Purity
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Specification
The molecular formula is C16H21Cl2NO2.
It was created on May 28, 2009.
The IUPAC Name is tert-butyl 4-(3,5-dichlorophenyl)piperidine-1-carboxylate.
The InChI is InChI=1S/C16H21Cl2NO2/c1-16(2,3)21-15(20)19-6-4-11(5-7-19)12-8-13(17)10-14(18)9-12/h8-11H,4-7H2,1-3H3.
The InChIKey is KYXDLDYGZRULGB-UHFFFAOYSA-N.
The Canonical SMILES is CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=CC(=C2)Cl)Cl.
The molecular weight is 330.2 g/mol.
The CAS number is 959246-49-2.
There are 0 hydrogen bond donor counts.
Yes, the compound is canonicalized.