(2R)-1-(4-Chlorophenoxy)-3,3-Dimethyl-2-(1H-1,2,4-Triazol-1-Ylmethyl)-2-Butanol

Molecule SVG Image

Properties Simple | Detailed

Formula C15H20ClN3O2
IUPAC Name (2r)-1-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-2-[(4-chlorophenoxy)methyl]-3,3-dimethyl-butan-2-ol
Molecular Mass 309.791 g·mol−1
Heat of Formation -172.9 ± 16.7 kJ·mol−1
Dipole Moment 7.24 ± 1.08 D
Volume 376.15 Å 3
Surface Area 307.98 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol
  • 1h-1,2,4-triazole-1-ethanol, .alpha.-[(4-chlorophenoxy)methyl]-.alpha.-(1,1-dimethylethyl)-
  • bay n 7133
InChIKey OCQPZTCGZAFWSG-OAHLLOKOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl