(2S)-2-[2-(4-Fluorophenyl)-1,3-Benzoxazol-5-Yl]Propanoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C16H12FNO3
IUPAC Name (2s)-2-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]propanoic acid
Molecular Mass 285.270 g·mol−1
Heat of Formation -442.4 ± 16.7 kJ·mol−1
Dipole Moment 2.91 ± 1.08 D
Volume 315.13 Å 3
Surface Area 295.05 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-2-(p-fluorophenyl)-alpha-methyl-5-benzoxazoleacetic acid
  • (2s)-2-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]propionic acid
  • (s)-(+)-flunoxaprofen
  • (s)-2-(4-fluorophenyl)-alpha-methyl-5-benzoxazoleacetic acid
  • 5-benzoxazoleacetic acid, 2-(4-fluorophenyl)-alpha-methyl-, (s)-
  • priaxim
CAS Number(s)
  • 66934-18-7
InChIKey ARPYQKTVRGFPIS-VIFPVBQESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F