2,3-Dihydroxy-7-Nitroquinoxaline-6-Carbonitrile

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Properties Simple | Detailed

Formula C9H4N4O4
IUPAC Name 7-nitro-2,3-dioxo-quinoxaline-1,4-diium-6-carbonitrile
Molecular Mass 232.152 g·mol−1
Heat of Formation -47.5 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 232.86 Å 3
Surface Area 225.21 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy -2.31 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,3-diketo-7-nitro-1,4-dihydroquinoxaline-6-carbonitrile
  • 6-cyano-7-nitroquinoxaline-2,3-dione
  • 6-quinoxalinecarbonitrile, 1,2,3,4-tetrahydro-7-nitro-2,3-dioxo-
  • ae-641/00585012
  • biomol-nt_000200
  • bpbio1_001232
  • cnqx
  • fg-9065
  • tocris-0190
CAS Number(s)
  • 115066-14-3
InChIKey RPXVIAFEQBNEAX-UHFFFAOYSA-N
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