Uniconazole

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Properties Simple | Detailed

Formula C15H18ClN3O
IUPAC Name (e,3s)-2-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-1-(4-chlorophenyl)-4,4-dimethyl-pent-1-en-3-ol
Molecular Mass 291.776 g·mol−1
Heat of Formation 47.0 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 355.0 Å 3
Surface Area 294.6 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-(+)-(s)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-pent-1-ene-3-ol
  • (e,3s)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
  • (s)-s3307
  • (s)-uniconazole
  • 1h-1,2,4-triazole-1-ethanol, beta-((4-chlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-, (s-(e))-
  • lomica
  • s-3307d
  • uniconazole p
CAS Number(s)
  • 83657-17-4
InChIKey YNWVFADWVLCOPU-MAUPQMMJSA-N
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Elements H C N O Cl