1-(5-Carboxypentyl)-5-[(2,6-Dichlorobenzyl)Oxy]-1H-Indole-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C22H21Cl2NO5
IUPAC Name 1-(5-carboxypentyl)-5-[(2,6-dichlorophenyl)methoxy]indol-1-ium-2-ylium-2-carboxylic acid
Molecular Mass 450.312 g·mol−1
Heat of Formation -778.9 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 504.28 Å 3
Surface Area 445.18 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
InChIKey JTGPYFFQVOIJKR-UHFFFAOYSA-N
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Elements H C Cl O N