4-[6-(2-Chloro-4-Methoxyphenoxy)Hexyl]-3,5-Diethyl-1H-Pyrazole

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Properties Simple | Detailed

Formula C20H29ClN2O2
IUPAC Name 4-[6-(2-chloro-4-methoxy-phenoxy)hexyl]-3,5-diethyl-pyrazol-1-ium-2-ide
Molecular Mass 364.909 g·mol−1
Heat of Formation -300.0 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 465.83 Å 3
Surface Area 414.98 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrazole, 4-(6-(2-chloro-4-methoxyphenoxy)hexyl)-3,5-diethyl-
  • 4-(6-(2-chloro-4-methoxyphenoxy)hexyl)-3,5-diethyl-1h-pyrazole
  • 4-(6-(2-chloro-4-methoxyphenoxy)hexyl)-3,5-diethyl-1h-pyrazole methane sulfonate
  • 4-[6-(2-chloro-4-methoxy-phenoxy)hexyl]-3,5-diethyl-1h-pyrazole
  • win 41258-3
InChIKey ABAXWMATQNAOLI-UHFFFAOYSA-N
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