Home Halogens 2-(3-chlorophenyl)-2-(piperazin-1-yl)acetonitrile

2-(3-chlorophenyl)-2-(piperazin-1-yl)acetonitrile

CAS No.:
1017388-57-6
Catalog Number:
AG01BGFJ
Molecular Formula:
C12H14ClN3
Molecular Weight:
235.7127
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Product Description
Catalog Number:
AG01BGFJ
Chemical Name:
2-(3-chlorophenyl)-2-(piperazin-1-yl)acetonitrile
CAS Number:
1017388-57-6
Molecular Formula:
C12H14ClN3
Molecular Weight:
235.7127
MDL Number:
MFCD09817086
IUPAC Name:
2-(3-chlorophenyl)-2-piperazin-1-ylacetonitrile
InChI:
InChI=1S/C12H14ClN3/c13-11-3-1-2-10(8-11)12(9-14)16-6-4-15-5-7-16/h1-3,8,12,15H,4-7H2
InChI Key:
FLHZJVMVTDWPBV-UHFFFAOYSA-N
SMILES:
N#CC(c1cccc(c1)Cl)N1CCNCC1
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.088g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.715g/mol
Monoisotopic Mass:
235.088g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties