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Home > Nitro Compounds > 89505-35-1
89505-35-1 | Benzonitrile, 5-nitro-2-[[4-(1-piperidinyl)phenyl]azo]-
CAS No: 89505-35-1 Catalog No: AG00415G MDL No:
Product Description
Catalog Number:
AG00415G
Chemical Name:
Benzonitrile, 5-nitro-2-[[4-(1-piperidinyl)phenyl]azo]-
CAS Number:
89505-35-1
Molecular Formula:
C18H17N5O2
Molecular Weight:
335.3599
IUPAC Name:
5-nitro-2-[(4-piperidin-1-ylphenyl)diazenyl]benzonitrile
InChI:
InChI=1S/C18H17N5O2/c19-13-14-12-17(23(24)25)8-9-18(14)21-20-15-4-6-16(7-5-15)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2
InChI Key:
AUARFYDXRBFQRL-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1N=Nc1ccc(cc1)N1CCCCC1)[N+](=O)[O-]
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.138g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.367g/mol
Monoisotopic Mass:
335.138g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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