4-[1-(4-Fluorobenzyl)-1H-Pyrrol-2-Yl]-2,4-Dioxobutanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C15H12FNO4
IUPAC Name 4-[1-[(4-fluorophenyl)methyl]pyrrol-1-ium-2-ylium-2-yl]-2,4-dioxo-butanoic acid
Molecular Mass 289.258 g·mol−1
Heat of Formation -628.8 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 325.08 Å 3
Surface Area 288.0 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrrole-2-butanoic acid, 1-((4-fluorophenyl)methyl)-alpha,gamma-dioxo-
  • 1h-pyrrole-2-butanoic acid, 1-[(4-fluorophenyl)methyl]-.alpha.,.gamma.-dioxo-
  • 4-(1-(4-fluoro-benzyl)-1h-pyrrol-2-yl)-2,4-dioxo-butyric acid
  • 4-[1-(4-fluorobenzyl)pyrrol-2-yl]-2,4-diketo-butyric acid
  • 4-[1-[(4-fluorophenyl)methyl]-2-pyrrolyl]-2,4-dioxobutanoic acid
  • 4-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-2,4-dioxo-butanoic acid
  • 4-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]-2,4-dioxobutanoic acid
InChIKey PJIBKQJSMPMZCH-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F