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Home > Nitro Compounds > 78946-99-3
78946-99-3 | 4,4'-Bipyridinium, 1,1'-bis(4-nitrophenyl)-
CAS No: 78946-99-3 Catalog No: AG0054K5 MDL No:
Product Description
Catalog Number:
AG0054K5
Chemical Name:
4,4'-Bipyridinium, 1,1'-bis(4-nitrophenyl)-
CAS Number:
78946-99-3
Molecular Formula:
C22H16N4O4++
Molecular Weight:
400.3868
IUPAC Name:
1-(4-nitrophenyl)-4-[1-(4-nitrophenyl)pyridin-1-ium-4-yl]pyridin-1-ium
InChI:
InChI=1S/C22H16N4O4/c27-25(28)21-5-1-19(2-6-21)23-13-9-17(10-14-23)18-11-15-24(16-12-18)20-3-7-22(8-4-20)26(29)30/h1-16H/q+2
InChI Key:
WPBZJAFLWOPUNV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)[n+]1ccc(cc1)c1cc[n+](cc1)c1ccc(cc1)[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:
400.117g/mol
Formal Charge:
2
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.394g/mol
Monoisotopic Mass:
400.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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