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Home > Nitro Compounds > 269077-45-4
269077-45-4 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dinitro-
CAS No: 269077-45-4 Catalog No: AG01DNQ8 MDL No:MFCD16294039
Product Description
Catalog Number:
AG01DNQ8
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-dinitro-
CAS Number:
269077-45-4
Molecular Formula:
C4H2N4O7
Molecular Weight:
218.0813
MDL Number:
MFCD16294039
IUPAC Name:
5,5-dinitro-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C4H2N4O7/c9-1-4(7(12)13,8(14)15)2(10)6-3(11)5-1/h(H2,5,6,9,10,11)
InChI Key:
FFHNABRYKXBJEF-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(C(=O)N1)([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.992g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.081g/mol
Monoisotopic Mass:
217.992g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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