3-(4-Chlorophenyl)-4,5,6,7-Tetrahydro-1H-Indazole

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Properties Simple | Detailed

Formula C13H13ClN2
IUPAC Name 3-(4-chlorophenyl)-4,5,6,7-tetrahydroindazol-1-ium-2-ide
Molecular Mass 232.709 g·mol−1
Heat of Formation 180.6 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 270.69 Å 3
Surface Area 251.65 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 11h-549s
  • 3-(4-chlorophenyl)-4,5,6,7-tetrahydro-2h-indazole
  • bionet2_001466
InChIKey KVEOBXMMMLVLKY-UHFFFAOYSA-N
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Elements H C N Cl