(2Z)-3-(5-Fluoro-1H-Indol-3-Yl)-2-Sulfanylacrylic Acid

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Properties Simple | Detailed

Formula C11H8FNO2S
IUPAC Name (z)-3-(5-fluoroindol-1-ium-3-yl)-2-sulfanyl-prop-2-enoic acid
Molecular Mass 237.250 g·mol−1
Heat of Formation -334.0 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 258.04 Å 3
Surface Area 241.21 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-3-(5-fluoro-1h-indol-3-yl)-2-mercapto-acrylic acid
  • (z)-3-(5-fluoro-1h-indol-3-yl)-2-mercaptoprop-2-enoic acid
  • (z)-3-(5-fluoro-1h-indol-3-yl)-2-sulfanyl-prop-2-enoic acid
  • (z)-3-(5-fluoro-1h-indol-3-yl)-2-sulfanylprop-2-enoic acid
  • 3-(5-fluoro-1h-indol-3-yl)-2-mercapto-acrylic acid
  • 3-(5-fluoro-1h-indol-3-yl)-2-mercaptoprop-2-enoic acid
  • 3-(5-fluoro-1h-indol-3-yl)-2-sulfanyl-prop-2-enoic acid
  • 3-(5-fluoro-1h-indol-3-yl)-2-sulfanylprop-2-enoic acid
  • 3-(5-fluoro-3-indolyl)-2-mercapto-(z)-2-propenoic acid
  • pd 151746
InChIKey HWMQHECFXSVZGN-KMKOMSMNSA-N
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