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
Properties
Property | Value |
---|---|
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 |
|
InChIKey | QYMZRTSHYZACQA-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI |
|
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C N O Cl |