(2S,3S)-1-(2,4-Dichlorophenyl)-4,4-Dimethyl-2-(1H-1,2,4-Triazol-1-Yl)-3-Pentanol

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Formula C15H19Cl2N3O
IUPAC Name (2s,3s)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
Molecular Mass 328.237 g·mol−1
Heat of Formation -89.0 ± 16.7 kJ·mol−1
Dipole Moment 4.75 ± 1.08 D
Volume 377.83 Å 3
Surface Area 307.9 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1,2,4-triazole-1-ethanol, beta-((2,4-dichlorophenyl)methyl)-alpha-(1,1-dimethylethyl)-, (alphas,betas)-
CAS Number(s)
  • 84709-81-9
InChIKey URDNHJIVMYZFRT-UONOGXRCSA-N
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Elements H C N O Cl