1-(2-Carboxyphenyl)-7-Chloro-6-[(2-Chloro-4,6-Difluorophenyl)Amino]-4-Oxo-1,4-Dihydro-3-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C23H20Cl2F2N2O5
IUPAC Name 1-(2-carboxyphenyl)-7-chloro-6-(2-chloro-4,6-difluoro-anilino)-4-oxo-5,8-dihydro-2h-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 513.318 g·mol−1
Heat of Formation -931.4 ± 16.7 kJ·mol−1
Dipole Moment 7.58 ± 1.08 D
Volume 507.28 Å 3
Surface Area 413.39 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 1.46 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluoro-phenyl)amino]-4-keto-quinoline-3-carboxylic acid
  • 1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluoro-phenyl)amino]-4-oxo-quinoline-3-carboxylic acid
  • 1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-3-quinolinecarboxylic acid
InChIKey OEMJXSVJXPIFMA-UHFFFAOYSA-N
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Elements C Cl H F O N