3-[(Z)-2-Carboxy-2-Phenylvinyl]-4,6-Dichloro-1H-Indole-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C18H11Cl2NO4
IUPAC Name 3-[(z)-2-carboxy-2-phenyl-vinyl]-4,6-dichloro-indol-1-ium-2-carboxylic acid
Molecular Mass 376.190 g·mol−1
Heat of Formation -492.2 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 390.7 Å 3
Surface Area 332.77 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
Synonyms
  • 4,6-dichloro-3-(3-hydroxy-3-keto-2-phenyl-prop-1-enyl)-1h-indole-2-carboxylic acid
  • 4,6-dichloro-3-(3-hydroxy-3-oxo-2-phenyl-prop-1-enyl)-1h-indole-2-carboxylic acid
  • 4,6-dichloro-3-(3-hydroxy-3-oxo-2-phenylprop-1-enyl)-1h-indole-2-carboxylic acid
  • 4,6-dichloro-3-[(z)-3-hydroxy-3-keto-2-phenyl-prop-1-enyl]-1h-indole-2-carboxylic acid
  • 4,6-dichloro-3-[(z)-3-hydroxy-3-oxo-2-phenyl-prop-1-enyl]-1h-indole-2-carboxylic acid
  • 4,6-dichloro-3-[(z)-3-hydroxy-3-oxo-2-phenylprop-1-enyl]-1h-indole-2-carboxylic acid
InChIKey LPWVUDLZUVBQGP-FLIBITNWSA-N
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