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Home > Imidazoles > 144092-00-2
144092-00-2 | 2H-Imidazo[4,5-b]pyrazin-2-one, 1-acetyloctahydro-3,4,7-trinitro-, cis- (9CI)
CAS No: 144092-00-2 Catalog No: AG001IWF MDL No:
Product Description
Catalog Number:
AG001IWF
Chemical Name:
2H-Imidazo[4,5-b]pyrazin-2-one, 1-acetyloctahydro-3,4,7-trinitro-, cis- (9CI)
CAS Number:
144092-00-2
Molecular Formula:
C7H9N7O8
Molecular Weight:
319.1885
IUPAC Name:
1-acetyl-3,4,7-trinitro-3a,5,6,7a-tetrahydroimidazo[4,5-b]pyrazin-2-one
InChI:
InChI=1S/C7H9N7O8/c1-4(15)10-5-6(11(7(10)16)14(21)22)9(13(19)20)3-2-8(5)12(17)18/h5-6H,2-3H2,1H3
InChI Key:
GRQGFMPTBFJFMF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)N1CCN([C@@H]2[C@H]1N([N+](=O)[O-])C(=O)N2C(=O)C)[N+](=O)[O-]
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.051g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.19g/mol
Monoisotopic Mass:
319.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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