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Home > Nitro Compounds > 762258-45-7
762258-45-7 | 5-nitro-2-(4-phenylpiperazin-1-yl)benzonitrile
CAS No: 762258-45-7 Catalog No: AG00J94S MDL No:MFCD04496889
Product Description
Catalog Number:
AG00J94S
Chemical Name:
5-nitro-2-(4-phenylpiperazin-1-yl)benzonitrile
CAS Number:
762258-45-7
Molecular Formula:
C17H16N4O2
Molecular Weight:
308.3345
MDL Number:
MFCD04496889
IUPAC Name:
5-nitro-2-(4-phenylpiperazin-1-yl)benzonitrile
InChI:
InChI=1S/C17H16N4O2/c18-13-14-12-16(21(22)23)6-7-17(14)20-10-8-19(9-11-20)15-4-2-1-3-5-15/h1-7,12H,8-11H2
InChI Key:
SOZFFYQRCNJDOU-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1N1CCN(CC1)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.127g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.341g/mol
Monoisotopic Mass:
308.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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