[2,6-Dichloro-4-(3,5-Dioxo-4,5-Dihydro-1,2,4-Triazin-2(3H)-Yl)Phenyl](4-Fluorophenyl)Acetonitrile
Properties
Property | Value |
---|---|
Formula | C17H9Cl2FN4O2 |
IUPAC Name | 2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-(4-fluorophenyl)acetonitrile |
Molecular Mass | 391.183 g·mol−1 |
Heat of Formation | -122.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.75 ± 1.08 D |
Volume | 400.19 Å 3 |
Surface Area | 344.61 Å 2 |
HOMO Energy | -10.01 ± 0.55 eV |
LUMO Energy | -1.62 ± eV |
Point Group Symmetry | C1 |
InChIKey | XQKYUBTUOHHNDV-LBPRGKRZSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H Cl O N |