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Home > Nitro Compounds > 1024-94-8
1024-94-8 | 2,2'-Bipyridine, 3,3'-dinitro-
CAS No: 1024-94-8 Catalog No: AG0007DB MDL No:
Product Description
Catalog Number:
AG0007DB
Chemical Name:
2,2'-Bipyridine, 3,3'-dinitro-
CAS Number:
1024-94-8
Molecular Formula:
C10H6N4O4
Molecular Weight:
246.1790
IUPAC Name:
3-nitro-2-(3-nitropyridin-2-yl)pyridine
InChI:
InChI=1S/C10H6N4O4/c15-13(16)7-3-1-5-11-9(7)10-8(14(17)18)4-2-6-12-10/h1-6H
InChI Key:
PQSBMZFINXSHDM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccnc1c1ncccc1[N+](=O)[O-]
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.039g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.182g/mol
Monoisotopic Mass:
246.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Theoretical studies of -NH₂ and -NO₂ substituted dipyridines. | Journal of molecular modeling 20121001 |
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