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Home > Nitro Compounds > 88047-52-3
88047-52-3 | 2(1H)-Pyridinimine, 1-(dinitromethyl)-
CAS No: 88047-52-3 Catalog No: AG004MH4 MDL No:
Product Description
Catalog Number:
AG004MH4
Chemical Name:
2(1H)-Pyridinimine, 1-(dinitromethyl)-
CAS Number:
88047-52-3
Molecular Formula:
C6H6N4O4
Molecular Weight:
198.1362
IUPAC Name:
1-(dinitromethyl)pyridin-2-imine
InChI:
InChI=1S/C6H6N4O4/c7-5-3-1-2-4-8(5)6(9(11)12)10(13)14/h1-4,6-7H
InChI Key:
BGFMEALRWFWMCF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(n1ccccc1=N)[N+](=O)[O-]
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.039g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.138g/mol
Monoisotopic Mass:
198.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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