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Home > Nitro Compounds > 199105-16-3
199105-16-3 | Piperazine, 1-(2-nitrophenyl)-4-(phenylmethyl)-
CAS No: 199105-16-3 Catalog No: AG002BWR MDL No:
Product Description
Catalog Number:
AG002BWR
Chemical Name:
Piperazine, 1-(2-nitrophenyl)-4-(phenylmethyl)-
CAS Number:
199105-16-3
Molecular Formula:
C17H19N3O2
Molecular Weight:
297.3517
IUPAC Name:
1-benzyl-4-(2-nitrophenyl)piperazine
InChI:
InChI=1S/C17H19N3O2/c21-20(22)17-9-5-4-8-16(17)19-12-10-18(11-13-19)14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChI Key:
DMENHEVTWVZMAR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1N1CCN(CC1)Cc1ccccc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.148g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.358g/mol
Monoisotopic Mass:
297.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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