Paclobutrazol

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Properties Simple | Detailed

Formula C15H20ClN3O
IUPAC Name (2s,3s)-2-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-1-(4-chlorophenyl)-4,4-dimethyl-pentan-3-ol
Molecular Mass 293.792 g·mol−1
Heat of Formation -31.8 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 364.54 Å 3
Surface Area 302.6 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
  • (2s,3s)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1h-1,2,4-triazol-1-yl)pentan-3-ol
  • 1h-1,2,4-triazole-1-ethanol, beta-((4-chlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-, (s-(r*,r*))-
CAS Number(s)
  • 66346-05-2
InChIKey RMOGWMIKYWRTKW-UONOGXRCSA-N
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