(1E,3R)-1-(2,4-Dichlorphenyl)-4,4-Dimethyl-2-(1H-1,2,4-Triazol-1-Yl)Pent-1-En-3-Ol

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Properties Simple | Detailed

Formula C15H17Cl2N3O
IUPAC Name (e,3r)-2-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-1-(2,4-dichlorophenyl)-4,4-dimethyl-pent-1-en-3-ol
Molecular Mass 326.221 g·mol−1
Heat of Formation 10.6 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 373.67 Å 3
Surface Area 307.12 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
Synonyms
  • (e,3r)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
  • (r)-s 3308
  • 1h-1,2,4-triazole-1-ethanol, beta-((2,4-dichlorophenyl)methylene)-alpha-(1,1-dimethylethyl)-,(r-(e))-
  • diniconazole (-)
  • diniconazole m
CAS Number(s)
  • 83657-18-5
InChIKey FBOUIAKEJMZPQG-BLXFFLACSA-N
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Elements H C N O Cl