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Home > Nitro Compounds > 129077-50-5
129077-50-5 | 2,2':6',2''-Terpyridine, 4'-(3-nitrophenyl)-
CAS No: 129077-50-5 Catalog No: AG000YUA MDL No:
Product Description
Catalog Number:
AG000YUA
Chemical Name:
2,2':6',2''-Terpyridine, 4'-(3-nitrophenyl)-
CAS Number:
129077-50-5
Molecular Formula:
C21H14N4O2
Molecular Weight:
354.3615
IUPAC Name:
4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine
InChI:
InChI=1S/C21H14N4O2/c26-25(27)17-7-5-6-15(12-17)16-13-20(18-8-1-3-10-22-18)24-21(14-16)19-9-2-4-11-23-19/h1-14H
InChI Key:
GLNZHKNBOZBSPS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1cc(nc(c1)c1ccccn1)c1ccccn1
Properties
Complexity:
471
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
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