1-({(2S,4R)-2-[2-Chloro-4-(4-Chlorophenoxy)Phenyl]-4-Methyl-1,3-Dioxolan-2-Yl}Methyl)-1H-1,2,4-Triazole
Properties
Property | Value |
---|---|
Formula | C19H17Cl2N3O3 |
IUPAC Name | 1-[[(2s,4r)-2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole |
Molecular Mass | 406.263 g·mol−1 |
Heat of Formation | -167.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.32 ± 1.08 D |
Volume | 449.13 Å 3 |
Surface Area | 370.0 Å 2 |
HOMO Energy | -9.43 ± 0.55 eV |
LUMO Energy | -0.72 ± eV |
Point Group Symmetry | C1 |
InChIKey | BQYJATMQXGBDHF-BFUOFWGJSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O Cl |