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Properties Simple | Detailed

Formula C23H38ClFNO5+
IUPAC Name 6-[(3-chloro-2-fluoro-cyclohexyl)methyl]-1-[(1s)-1-(hydroxymethyl)-2-methyl-propyl]-7-methoxy-4-oxo-5,8-dihydro-2h-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 463.003 g·mol−1
Heat of Formation -949.2 ± 16.7 kJ·mol−1
Dipole Moment 10.01 ± 1.08 D
Volume 507.85 Å 3
Surface Area 414.4 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
Synonyms
  • 3-quinolinecarboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1s)-1-isopropyl-2-hydroxyethyl]-7-methoxy-4-oxo-
  • 6-(3-chloro-2-fluoro-benzyl)-4-keto-7-methoxy-1-[(1s)-2-methyl-1-methylol-propyl]quinoline-3-carboxylic acid
  • 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(1s)-1-(hydroxymethyl)-2-methyl-propyl]-7-methoxy-4-oxo-quinoline-3-carboxylic acid
  • 6-[(3-chloro-2-fluoro-phenyl)methyl]-1-[(2s)-1-hydroxy-3-methyl-butan-2-yl]-7-methoxy-4-oxo-quinoline-3-carboxylic acid
  • 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(1s)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-3-quinolinecarboxylic acid
  • 6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2s)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid
  • gs-9137
  • jtk-303
InChIKey JUZYLCPPVHEVSV-LJQANCHMSA-N
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Elements C F H Cl O N