Cimicoxib

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Properties Simple | Detailed

Formula C16H13ClFN3O3S
IUPAC Name 4-[4-chloro-5-(3-fluoro-4-methoxy-phenyl)imidazol-1-ium-5-ylium-1-yl]benzenesulfonamide
Molecular Mass 381.809 g·mol−1
Heat of Formation -346.0 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 398.33 Å 3
Surface Area 349.5 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -1.30 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(4-chloro-5-(3-fluoro-4-methoxyphenyl)-1h-imidazol-1-yl)benzenesulfonamide
  • 4-[4-chloro-5-(3-fluoro-4-methoxy-phenyl)imidazol-1-yl]benzenesulfonamide
  • 4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)-1-imidazolyl]benzenesulfonamide
  • 4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
  • ur-8880
CAS Number(s)
  • 265114-23-6
InChIKey KYXDNECMRLFQMZ-UHFFFAOYSA-N
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