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Home > Nitro Compounds > 89505-33-9
89505-33-9 | Piperidine, 1-[4-[(4-nitrophenyl)azo]phenyl]-
CAS No: 89505-33-9 Catalog No: AG0041EZ MDL No:
Product Description
Catalog Number:
AG0041EZ
Chemical Name:
Piperidine, 1-[4-[(4-nitrophenyl)azo]phenyl]-
CAS Number:
89505-33-9
Molecular Formula:
C17H18N4O2
Molecular Weight:
310.3504
IUPAC Name:
(4-nitrophenyl)-(4-piperidin-1-ylphenyl)diazene
InChI:
InChI=1S/C17H18N4O2/c22-21(23)17-10-6-15(7-11-17)19-18-14-4-8-16(9-5-14)20-12-2-1-3-13-20/h4-11H,1-3,12-13H2
InChI Key:
WPCOQYXCVPDCFK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N=Nc1ccc(cc1)N1CCCCC1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.143g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.357g/mol
Monoisotopic Mass:
310.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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