Methyl (4-Chloro-1H-Indol-3-Yl)Acetate

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Properties Simple | Detailed

Formula C11H10ClNO2
IUPAC Name methyl 2-(4-chloroindol-1-ium-3-yl)acetate
Molecular Mass 223.656 g·mol−1
Heat of Formation -257.2 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 246.5 Å 3
Surface Area 226.41 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole-3-acetic acid, 4-chloro-, methyl ester
  • 2-(4-chloro-1h-indol-3-yl)acetic acid methyl ester
  • 4-chloro-indoleacetic acid methyl ester
  • 4-chloroindolyl-3-acetic acid methyl ester
  • methyl 2-(4-chloro-1h-indol-3-yl)acetate
  • methyl 2-(4-chloro-1h-indol-3-yl)ethanoate
  • methyl 4-chloroindolyl-3-acetate
CAS Number(s)
  • 19077-78-2
InChIKey SYPGJEURLIGNPE-UHFFFAOYSA-N
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Elements H C N O Cl