2-(2-Chloro-4-Fluorobenzyl)-3-(4-Fluorophenyl)-7-(Trifluoromethyl)-2H-Indazole

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Properties Simple | Detailed

Formula C21H12ClF5N2
IUPAC Name 2-[(2-chloro-4-fluoro-phenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)indazol-2-ium
Molecular Mass 422.778 g·mol−1
Heat of Formation -647.0 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 433.51 Å 3
Surface Area 353.76 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2-chloro-4-fluoro-benzyl)-3-(4-fluorophenyl)-7-(trifluoromethyl)indazole
  • 2-[(2-chloro-4-fluoro-phenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)indazole
  • 2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)indazole
InChIKey KYWWJENKIMRJBI-UHFFFAOYSA-N
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Elements H N F C Cl