β-(4-Fluorobenzoyl)Propionic Acid

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Properties Simple | Detailed

Formula C10H9FO3
IUPAC Name 4-(4-fluorophenyl)-4-oxo-butanoic acid
Molecular Mass 196.175 g·mol−1
Heat of Formation -670.9 ± 16.7 kJ·mol−1
Dipole Moment 0.61 ± 1.08 D
Volume 223.45 Å 3
Surface Area 218.98 Å 2
HOMO Energy -10.38 ± 0.55 eV
LUMO Energy 1.99 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-(4-fluorobenzoyl)propanoic acid
  • 3-(4-fluorobenzoyl)propionic acid
  • 3-(4-fluorobenzoyl]propionic acid
  • 3-(p-fluorobenzoyl)-propionic acid
  • 4-(4-fluorophenyl)-4-keto-butyric acid
  • 4-(4-fluorophenyl)-4-oxobutanoic acid
  • benzenebutanoic acid, 4-fluoro-gamma-oxo-
  • haloperidol metabolite iii
  • mixcom1_000187
  • r 11302
  • sr-01000597214-2
CAS Number(s)
  • 366-77-8
InChIKey WUYWHIAAQYQKPP-UHFFFAOYSA-N
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