1-(4-Chlorobenzoyl)-5-Hydroxy-2-Methyl-3-Indoleacetic Acid

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Properties Simple | Detailed

Formula C18H14ClNO4
IUPAC Name 2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methyl-indol-3-yl]acetic acid
Molecular Mass 343.761 g·mol−1
Heat of Formation -525.2 ± 16.7 kJ·mol−1
Dipole Moment 1.50 ± 1.08 D
Volume 381.71 Å 3
Surface Area 332.08 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(p-chlorobenzoyl)-5-hydroxy-2-methylindole-3-acetic acid
  • 1h-indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-hydroxy-2-methyl-
  • 2-[1-(4-chlorobenzoyl)-5-hydroxy-2-methyl-indol-3-yl]acetic acid
  • 2-[1-(4-chlorophenyl)carbonyl-5-hydroxy-2-methyl-indol-3-yl]ethanoic acid
  • 2-[1-[(4-chlorophenyl)-oxomethyl]-5-hydroxy-2-methyl-3-indolyl]acetic acid
  • 5-hydroxyindomethacin
  • demethylindomethacin
  • desmethyl-indomethacin
  • indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-hydroxy-2-methyl-
  • o-desmethylindomethacin
CAS Number(s)
  • 2504-32-7
InChIKey KMLNWQPYFBIALN-UHFFFAOYSA-N
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Elements H C N O Cl