Formula |
C17H13ClFN3O |
IUPAC Name |
1-[[(2s,3s)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-4-aza-1-azonia-2-azanidacyclopenta-3,5-diene |
Molecular Mass |
329.756 g·mol−1 |
Heat of Formation |
117.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.37 ± 1.08 D |
Volume |
367.63 Å 3 |
Surface Area |
296.96 Å 2 |
HOMO Energy |
-9.78 ± 0.55 eV |
LUMO Energy |
2.41 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 1-[[(2s,3s)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1,2,4-triazole
- 1-[[(2s,3s)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
- epoxiconazole
|
CAS Number(s) |
|
InChIKey |
ZMYFCFLJBGAQRS-DLBZAZTESA-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
|
|
|