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214191-54-5 | 4,5-Imidazolidinedione, 2-(dinitromethylene)-
CAS No: 214191-54-5 Catalog No: AG0072EA MDL No:
Product Description
Catalog Number:
AG0072EA
Chemical Name:
4,5-Imidazolidinedione, 2-(dinitromethylene)-
CAS Number:
214191-54-5
Molecular Formula:
C4H2N4O6
Molecular Weight:
202.0819
IUPAC Name:
2-(dinitromethylidene)imidazolidine-4,5-dione
InChI:
InChI=1S/C4H2N4O6/c9-2-3(10)6-1(5-2)4(7(11)12)8(13)14/h(H,5,9)(H,6,10)
InChI Key:
ZLWBOELZHFCUMQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(=C1NC(=O)C(=O)N1)[N+](=O)[O-]
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.997g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.082g/mol
Monoisotopic Mass:
201.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| Study on reactions of 2-(dinitromethylene)-4,5-imidazolidinedione. | The Journal of organic chemistry 20040625 |
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