9-[2-(Trifluoromethyl)Benzyl]-2,3,4,9-Tetrahydro-1H-Carbazole-8-Carboxylic Acid

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Formula C21H18F3NO2
IUPAC Name 9-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydrocarbazol-9-ium-8a-ylium-1-carboxylic acid
Molecular Mass 373.368 g·mol−1
Heat of Formation -818.3 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 409.69 Å 3
Surface Area 326.97 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
Synonyms
  • 9-[2-(trifluoromethyl)benzyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
  • 9-[[2-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
InChIKey XAYKLHUEULGGGJ-UHFFFAOYSA-N
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