6-Fluoro-2-(2'-Fluoro-4-Biphenylyl)-3-Methyl-4-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C23H16F2NO2
IUPAC Name 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-quinolin-1-ium-4a-ide-4-carboxylic acid
Molecular Mass 376.375 g·mol−1
Heat of Formation -380.2 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 422.27 Å 3
Surface Area 371.87 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • 4-quinolinecarboxylic acid, 6-fluoro-2-(2'-fluoro(1,1'-biphenyl)-4-yl)-3-methyl-
  • 4-quinolinecarboxylic acid, 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-3-methyl-
  • 6-fluoro-2-(2'-fluoro-1,1'-biphenyl-4-yl)-3-methylquinoline-4-carboxylic acid
  • 6-fluoro-2-(2'-fluoro-[1,1'-biphenyl]-4-yl)-3-methyl-4-quinolinecarboxylic acid, (*sodium sal*)
  • 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-4-quinolinecarboxylic acid
  • 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-cinchoninic acid
  • 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid
  • 96187-53-0 (free acid)
  • 96201-88-6 (sodium)
  • brequinar
  • brequinarum [latin]
  • brf
  • neuro_000208
InChIKey PHEZJEYUWHETKO-UHFFFAOYSA-N
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