2,8-Bis(Trifluoromethyl)-4-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C12H5F6NO2
IUPAC Name 2,8-bis(trifluoromethyl)quinoline-4-carboxylic acid
Molecular Mass 309.164 g·mol−1
Heat of Formation -1442.0 ± 16.7 kJ·mol−1
Dipole Moment 6.38 ± 1.08 D
Volume 289.08 Å 3
Surface Area 261.53 Å 2
HOMO Energy -10.67 ± 0.55 eV
LUMO Energy 0.76 ± eV
Point Group Symmetry C1
Synonyms
  • 2,8-bis(trifluoromethyl)cinchoninic acid
  • 2,8-mmq
  • 4-quinolinecarboxylic acid, 2,8-bis(trifluoromethyl)-
  • cc-pmlsc-dma-p115
  • mefloquine carboxylic acid
  • ro 21-5104
  • ro-21-5104
  • sdccgmls-0091902.p001
CAS Number(s)
  • 35853-50-0
InChIKey QJTJIQBSZLFWFS-UHFFFAOYSA-N
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