4-{[6-(4-Fluorophenyl)[1,2,4]Triazolo[4,3-B][1,2,4]Triazin-3-Yl]Methyl}Phenol
Properties
Property | Value |
---|---|
Formula | C17H13FN5O+ |
IUPAC Name | 4-[[6-(4-fluorophenyl)-2h-[1,2,4]triazolo[4,3-b][1,2,4]triazin-4-ium-3-yl]methyl]phenol |
Molecular Mass | 322.316 g·mol−1 |
Heat of Formation | 301.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.83 ± 1.08 D |
Volume | 361.84 Å 3 |
Surface Area | 317.85 Å 2 |
HOMO Energy | -9.29 ± 0.55 eV |
LUMO Energy | 1.27 ± eV |
Point Group Symmetry | C1 |
InChIKey | NBRHZLRAQNRJSZ-UHFFFAOYSA-O |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O F |