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Home > Nitro Compounds > 129077-51-6
129077-51-6 | 2,2':6',2''-Terpyridine, 4'-(4-nitrophenyl)-
CAS No: 129077-51-6 Catalog No: AG000YU9 MDL No:
Product Description
Catalog Number:
AG000YU9
Chemical Name:
2,2':6',2''-Terpyridine, 4'-(4-nitrophenyl)-
CAS Number:
129077-51-6
Molecular Formula:
C21H14N4O2
Molecular Weight:
354.3615
IUPAC Name:
4-(4-nitrophenyl)-2,6-dipyridin-2-ylpyridine
InChI:
InChI=1S/C21H14N4O2/c26-25(27)17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-22-18)24-21(14-16)19-6-2-4-12-23-19/h1-14H
InChI Key:
SLAKPUZCHMXDSL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1cc(nc(c1)c1ccccn1)c1ccccn1
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.112g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.369g/mol
Monoisotopic Mass:
354.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| [4'-(4-Amino-phen-yl)-2,2':6',2''-terpyridine]-chloridopalladium(II) chloride. | Acta crystallographica. Section E, Structure reports online 20110601 |
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