2-{[8-(Trifluoromethyl)-4-Quinolinyl]Amino}Benzoic Acid

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Formula C17H11F3N2O2
IUPAC Name 2-[[8-(trifluoromethyl)-4-quinolyl]amino]benzoic acid
Molecular Mass 332.277 g·mol−1
Heat of Formation -726.1 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 342.46 Å 3
Surface Area 310.95 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((8-(trifluoromethyl)-4-quinolinyl)amino)benz*
  • 2-[[8-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
  • benzoic acid, 2-((8-(trifluoromethyl)-4-quinolinyl)amino)-
  • floctafenic acid
CAS Number(s)
  • 36783-34-3
InChIKey RGUIKQRAZCQMBM-UHFFFAOYSA-N
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