3-[1-(4-Chlorobenzyl)-5-Fluoro-3-Methyl-1H-Indol-2-Yl]-2,2-Dimethylpropanoic Acid

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Properties Simple | Detailed

Formula C21H21ClFNO2
IUPAC Name 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-methyl-indol-1-ium-2-ylium-2-yl]-2,2-dimethyl-propanoic acid
Molecular Mass 373.848 g·mol−1
Heat of Formation -470.8 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 441.81 Å 3
Surface Area 361.84 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-5-fluoro-alpha,alpha,3-trimethyl-
  • 3-(1-(4-chlorobenzyl)-5-fluoro-3-methylindol-2-yl)-2,2-dimethylpropanoic acid
  • 3-[1-(4-chlorobenzyl)-5-fluoro-3-methyl-indol-2-yl]-2,2-dimethyl propanoic acid
  • 3-[1-(4-chlorobenzyl)-5-fluoro-3-methyl-indol-2-yl]-2,2-dimethyl-propionic acid
  • 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-methyl-2-indolyl]-2,2-dimethylpropanoic acid
  • 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-methyl-indol-2-yl]-2,2-dimethyl-propanoic acid
  • 3-[1-[(4-chlorophenyl)methyl]-5-fluoro-3-methylindol-2-yl]-2,2-dimethylpropanoic acid
  • l 655240
  • l-655,240
  • l-655240
  • tocris-1698
CAS Number(s)
  • 103253-15-2
InChIKey JLPYLHLUHJOPNL-UHFFFAOYSA-N
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Elements C F H Cl O N