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Home > Nitro Compounds > 876536-95-7
876536-95-7 | 5-nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile
CAS No: 876536-95-7 Catalog No: AG00J94M MDL No:MFCD04599200
Product Description
Catalog Number:
AG00J94M
Chemical Name:
5-nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile
CAS Number:
876536-95-7
Molecular Formula:
C16H15N5O2
Molecular Weight:
309.3226
MDL Number:
MFCD04599200
IUPAC Name:
5-nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzonitrile
InChI:
InChI=1S/C16H15N5O2/c17-12-13-11-14(21(22)23)4-5-15(13)19-7-9-20(10-8-19)16-3-1-2-6-18-16/h1-6,11H,7-10H2
InChI Key:
MNZLAFDTNQFKEG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1N1CCN(CC1)c1ccccn1)[N+](=O)[O-]
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.123g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.329g/mol
Monoisotopic Mass:
309.123g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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