(2R)-2-(4-Chlorophenyl)-3-Cyclopropyl-3-Methyl-1-(1H-1,2,4-Triazol-1-Yl)-2-Butanol

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Properties Simple | Detailed

Formula C16H20ClN3O
IUPAC Name (2r)-1-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-2-(4-chlorophenyl)-3-cyclopropyl-3-methyl-butan-2-ol
Molecular Mass 305.803 g·mol−1
Heat of Formation 101.7 ± 16.7 kJ·mol−1
Dipole Moment 7.22 ± 1.08 D
Volume 372.91 Å 3
Surface Area 301.54 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-(4-chlorophenyl)-3-cyclopropyl-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
  • san 89-485
  • sandoz 89-485
  • sdz 89-485
  • sdz-89-485
CAS Number(s)
  • 103183-65-9
  • 118550-34-8
InChIKey LHDGDQZODHEIPT-INIZCTEOSA-N
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Elements H C N O Cl