4-Chloro-5-({[4-({[2-Fluoro(~2~H_4_)Ethyl]Oxy}Methyl)Phenyl](~2~H_2_)Methyl}Oxy)-2-(2-Methyl-2-Propanyl)-3(2H)-Pyridazinone
Properties
Property | Value |
---|---|
Formula | C18H16ClD6FN2O3 |
IUPAC Name | 2-tert-butyl-4-chloro-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]pyridazin-2-ium-4-id-3-one |
Molecular Mass | 374.867 g·mol−1 |
Heat of Formation | -522.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.02 ± 1.08 D |
Volume | 425.34 Å 3 |
Surface Area | 379.86 Å 2 |
HOMO Energy | -9.12 ± 0.55 eV |
LUMO Energy | 2.26 ± eV |
Point Group Symmetry | C1 |
InChIKey | RMXZKEPDYBTFOS-UHFFFAOYSA-O |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H Cl O N |