3-(Carboxymethyl)-6-Chloro-1H-Indole-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C11H8ClNO4
IUPAC Name 3-(carboxymethyl)-6-chloro-indol-1-ium-2-carboxylic acid
Molecular Mass 253.639 g·mol−1
Heat of Formation -634.2 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 267.42 Å 3
Surface Area 247.46 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • sc 49648
  • sc-49648
CAS Number(s)
  • 132004-39-8
InChIKey GTVJSFUJLMFZCQ-UHFFFAOYSA-N
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Elements H C N O Cl