1-{[(2S,3S)-3-(2-Chlorophenyl)-2-(4-Fluorophenyl)-2-Oxiranyl]Methyl}-1H-1,2,4-Triazole

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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)
  • 133855-98-8
InChIKey ZMYFCFLJBGAQRS-DLBZAZTESA-N
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Elements C F H Cl O N