(4-Chlorophenyl)[2,6-Dichloro-4-(3,5-Dioxo-4,5-Dihydro-1,2,4-Triazin-2(3H)-Yl)Phenyl]Acetonitrile
Properties
Property | Value |
---|---|
Formula | C17H11Cl3N4O2++ |
IUPAC Name | (4-chlorophenyl)[2,6-dichloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3h)-yl)phenyl]acetonitrile |
Molecular Mass | 409.654 g·mol−1 |
Heat of Formation | 34.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.15 ± 1.08 D |
Volume | 416.07 Å 3 |
Surface Area | 356.4 Å 2 |
HOMO Energy | -9.95 ± 0.55 eV |
LUMO Energy | 1.37 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZSZFUDFOPOMEET-GFCCVEGCSA-P |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O Cl |