2-(2,4-Dichlorophenyl)-1,3-Di(1H-1,2,4-Triazol-1-Yl)-2-Propanol

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Properties Simple | Detailed

Formula C13H12Cl2N6O
IUPAC Name 1,3-bis(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-2-(2,4-dichlorophenyl)propan-2-ol
Molecular Mass 339.180 g·mol−1
Heat of Formation 242.1 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 363.88 Å 3
Surface Area 287.54 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-1,2,4-triazole-1-ethanol, alpha-(2,4-dichlorophenyl)-alpha-(1h-1,2,4-triazol-1-ylmethyl)-
  • 2-(2,4-dichlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
  • 2-(2,4-dichlorophenyl)-1,3-bis(1h-1,2,4-triazol-1-yl)propan-2-ol
  • alpha-(2,4-dichlorophenyl)-alpha-(triazol-1-ylmethyl)-as-triazoleethanol
  • dichlorophenyl-bis-triazolylpropanol
  • uk 47265
  • uk-47265
CAS Number(s)
  • 81886-52-4
InChIKey CMGCKUPKNSSPER-UHFFFAOYSA-N
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Elements H C N O Cl