2-{[7-(Trifluoromethyl)-4-Quinolinyl]Amino}Benzoic Acid

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Properties Simple | Detailed

Formula C17H11F3N2O2
IUPAC Name 2-[[7-(trifluoromethyl)-4-quinolyl]amino]benzoic acid
Molecular Mass 332.277 g·mol−1
Heat of Formation -732.8 ± 16.7 kJ·mol−1
Dipole Moment 6.31 ± 1.08 D
Volume 344.34 Å 3
Surface Area 315.78 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoic acid
  • 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
  • 7-(trifluoromethyl)-2-(4-quinolinylamino)benzoic acid
  • anthranilic acid, n-(7-trifluoromethyl-4-quinolyl)-
  • n-(7-trifluoromethyl-4-quinolyl)anthranilic acid
CAS Number(s)
  • 36777-15-8
InChIKey QBYPVSPDWKEXRG-UHFFFAOYSA-N
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