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

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Properties Simple | Detailed

Formula C18H11Cl2NO4
IUPAC Name 3-[(e)-2-carboxy-2-phenyl-vinyl]-4,6-dichloro-indol-1-ium-2-carboxylic acid
Molecular Mass 376.190 g·mol−1
Heat of Formation -503.3 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 394.07 Å 3
Surface Area 322.37 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 1.48 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4,6-dichloro-3-(2-phenyl-2-carboxyethenyl)indole-2-carboxylic acid
  • 4,6-dichloro-3-[(e)-3-hydroxy-3-keto-2-phenyl-prop-1-enyl]-1h-indole-2-carboxylic acid
  • 4,6-dichloro-3-[(e)-3-hydroxy-3-oxo-2-phenyl-prop-1-enyl]-1h-indole-2-carboxylic acid
  • mdl 105,519
InChIKey LPWVUDLZUVBQGP-DHZHZOJOSA-N
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Elements H C N O Cl