[5-Methoxy-2-Methyl-1-(2,4,6-Trichlorobenzoyl)-1H-Indol-3-Yl]Acetic Acid

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Properties Simple | Detailed

Formula C19H14Cl3NO4
IUPAC Name 2-[5-methoxy-2-methyl-1-(2,4,6-trichlorobenzoyl)indol-1-ium-3-yl]acetic acid
Molecular Mass 426.678 g·mol−1
Heat of Formation -590.5 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 445.95 Å 3
Surface Area 365.91 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 1.61 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole-3-acetic acid, 5-methoxy-2-methyl-1-(2,4,6-trichlorobenzoyl)-
  • 2-[5-methoxy-2-methyl-1-(2,4,6-trichlorophenyl)carbonyl-indol-3-yl]ethanoic acid
  • 2-[5-methoxy-2-methyl-1-[oxo-(2,4,6-trichlorophenyl)methyl]-3-indolyl]acetic acid
  • 5-methoxy-2-methyl-1-(2,4,6-trichlorobenzoyl)-1h-indole-3-acetic acid
  • l 748,780
  • l 748780
  • l-748,780
  • l-748780
CAS Number(s)
  • 168086-64-4
InChIKey WUJUBERMAKRECF-UHFFFAOYSA-N
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Elements H C N O Cl