Lumiracoxib

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Properties Simple | Detailed

Formula C15H13ClFNO2
IUPAC Name 2-[2-(2-chloro-6-fluoro-anilino)-5-methyl-phenyl]acetic acid
Molecular Mass 293.721 g·mol−1
Heat of Formation -470.5 ± 16.7 kJ·mol−1
Dipole Moment 1.50 ± 1.08 D
Volume 322.83 Å 3
Surface Area 289.27 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((2-chloro-6-fluorophenyl)amino)-5-methylbenzeneacetic acid
  • 2-[2-[(2-chloro-6-fluoro-phenyl)amino]-5-methyl-phenyl]acetic acid
  • 2-[2-[(2-chloro-6-fluoro-phenyl)amino]-5-methyl-phenyl]ethanoic acid
  • 2-[2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl]acetic acid
  • benzeneacetic acid, 2-((2-chloro-6-fluorophenyl)amino)-5-methyl-
  • cox 189
  • cox-189
  • cox189
  • d03714
  • lumiracoxib (usan)
  • prexige
CAS Number(s)
  • 220991-20-8
InChIKey KHPKQFYUPIUARC-UHFFFAOYSA-N
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Elements C F H Cl O N