7-Chloro-4-Oxo-8-(4H-1,2,4-Triazol-4-Yl)-4,5-Dihydro[1,2,4]Triazolo[1,5-A]Quinoxaline-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C12H6ClN7O3
IUPAC Name 7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5h-[1,2,4]triazolo[5,1-c]quinoxaline-2-carboxylic acid
Molecular Mass 331.674 g·mol−1
Heat of Formation 1514.1 ± 16.7 kJ·mol−1
Dipole Moment 7.63 ± 1.08 D
Volume 330.79 Å 3
Surface Area 306.25 Å 2
HOMO Energy -10.62 ± 0.55 eV
LUMO Energy -3.85 ± eV
Point Group Symmetry C1
Synonyms
  • 7-chloro-4-keto-8-(1,2,4-triazol-4-yl)-5h-[1,2,4]triazolo[5,1-c]quinoxaline-2-carboxylic acid
  • 7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5h-[1,2,4]triazolo[5,1-c]quinoxaline-2-carboxylic acid
InChIKey QYMZRTSHYZACQA-UHFFFAOYSA-N
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Elements C N O Cl