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Home > Nitro Compounds > 88491-78-5
88491-78-5 | Pyridine, 3,5-dinitro-, compd. with pyridine (2:1)
CAS No: 88491-78-5 Catalog No: AG0049YF MDL No:
Product Description
Catalog Number:
AG0049YF
Chemical Name:
Pyridine, 3,5-dinitro-, compd. with pyridine (2:1)
CAS Number:
88491-78-5
Molecular Formula:
C15H11N7O8
Molecular Weight:
417.2899
IUPAC Name:
3,5-dinitropyridine;pyridine
InChI:
InChI=1S/2C5H3N3O4.C5H5N/c2*9-7(10)4-1-5(8(11)12)3-6-2-4;1-2-4-6-5-3-1/h2*1-3H;1-5H
InChI Key:
VGVZNYGADOYSPX-UHFFFAOYSA-N
SMILES:
c1cccnc1.[O-][N+](=O)c1cncc(c1)[N+](=O)[O-].[O-][N+](=O)c1cncc(c1)[N+](=O)[O-]
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.067g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
417.294g/mol
Monoisotopic Mass:
417.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
222A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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