CAS
915151-24-5 Purity
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915151-24-5 Purity
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Specification
The molecular formula is C10H13ClN2.
The molecular weight is 196.67 g/mol.
The IUPAC Name is 2-(4-chlorophenyl)piperazine.
The InChI is InChI=1S/C10H13ClN2/c11-9-3-1-8(2-4-9)10-7-12-5-6-13-10/h1-4,10,12-13H,5-7H2.
The InChIKey is OTOVNNDSINVUBR-UHFFFAOYSA-N.
The Canonical SMILES is C1CNC(CN1)C2=CC=C(C=C2)Cl.
The XLogP3-AA value is 1.3.
There are 2 hydrogen bond donors.
There is 1 rotatable bond.
Yes, 2-(4-Chlorophenyl)piperazine is considered a canonicalized compound.