6-Fluoro-3-(4-Piperidinyl)-1,2-Benzoxazole

Molecule SVG Image

Properties Simple | Detailed

Formula C12H13FN2O
IUPAC Name 6-fluoro-3-(4-piperidyl)-1,2-benzoxazole
Molecular Mass 220.243 g·mol−1
Heat of Formation -76.6 ± 16.7 kJ·mol−1
Dipole Moment 1.91 ± 1.08 D
Volume 257.06 Å 3
Surface Area 238.76 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidine
  • 6-fluoro-3-(4-piperidyl)indoxazene
  • 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole
  • 6-fluoro-3-piperidin-4-yl-benzo[d]isoxazole
  • bas 13549338
  • fs011319
CAS Number(s)
  • 84163-77-9
InChIKey MRMGJMGHPJZSAE-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F