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C8H4N4O6CAS 2379-57-9252.14 g/mol

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OHNN+OO−N+OO−NHO
Nitro

Properties

Molecular formula
C8H4N4O6
Molar mass
252.14 g/mol
Exact mass
252.0131 Da
Melting point
above 360 °C
logP
0.03Crippen estimate
Polar surface area
152.0 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
2

Identifiers

CAS number
2379-57-9
SMILES
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]c1=O
InChIKey
RWVIMCIPOAXUDG-UHFFFAOYSA-N
InChI
InChI=1S/C8H4N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H,(H,9,13)(H,10,14)

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Names and synonyms

6 names
  • 2,3-Quinoxalinedione, 1,4-dihydro-6,7-dinitro-
  • 2,3-Quinoxalinediol, 6,7-dinitro-
  • 1,4-Dihydro-6,7-dinitro-2,3-quinoxalinedione
  • 6,7-Dinitro-2,3-dihydroxyquinoxaline
  • FG 9041
  • 6,7-Dinitroquinoxaline-2,3-(1H,4H)-dione

Work with Dnqx

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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