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Home > Nitro Compounds > 259793-97-0
259793-97-0 | 2-Pyrazinecarboxamide, 3,4-dihydro-6-nitro-3-oxo-
CAS No: 259793-97-0 Catalog No: AG002R9P MDL No:MFCD21648235
Product Description
Catalog Number:
AG002R9P
Chemical Name:
2-Pyrazinecarboxamide, 3,4-dihydro-6-nitro-3-oxo-
CAS Number:
259793-97-0
Molecular Formula:
C5H4N4O4
Molecular Weight:
184.1097
MDL Number:
MFCD21648235
IUPAC Name:
5-nitro-2-oxo-1H-pyrazine-3-carboxamide
InChI:
InChI=1S/C5H4N4O4/c6-4(10)3-5(11)7-1-2(8-3)9(12)13/h1H,(H2,6,10)(H,7,11)
InChI Key:
OSFLEHUTGSKIPE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]c(=O)c(n1)C(=O)N
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.023g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.111g/mol
Monoisotopic Mass:
184.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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