Epoxiconazole

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Properties Simple | Detailed

Formula C17H13ClFN3O
IUPAC Name 1-[[(2s,3r)-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 123.6 ± 16.7 kJ·mol−1
Dipole Moment 5.98 ± 1.08 D
Volume 366.07 Å 3
Surface Area 308.1 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (2rs,35r)-1-(3-(2-chlorophenyl)-2,3-epoxy-2-(4-fluorophenyl)propyl)-1h-1,2,4-triazole
  • 1-((3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-1h-1,2,4-triazole cis-(+-)-
  • 1-[[(2s,3r)-3-(2-chlorophenyl)-2-(4-fluorophenyl)-2-oxiranyl]methyl]-1,2,4-triazole
  • 1-[[(2s,3r)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
  • 1h-1,2,4-triazole, 1-(((2r,3s)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-, rel-
  • 1h-1,2,4-triazole, 1-((3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiranyl)methyl)-, cis-(+-)-
  • epoxiconazol
InChIKey ZMYFCFLJBGAQRS-IAGOWNOFSA-N
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Elements C F H Cl O N