7-Fluoro-1-Methyl-3-Methylsulfonyl-4-Quinolone

Molecule SVG Image

Properties Simple | Detailed

Formula C11H10FNO3S
IUPAC Name 7-fluoro-1-methyl-3-methylsulfonyl-2,5,6,8-tetrahydroquinoline-2,3,4a,5,6,7,8,8a-octaid-4-one
Molecular Mass 255.265 g·mol−1
Heat of Formation -555.0 ± 16.7 kJ·mol−1
Dipole Moment 6.25 ± 1.08 D
Volume 264.89 Å 3
Surface Area 244.92 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
Synonyms
  • 4(1h)-quinolinone, 7-fluoro-1-methyl-3-(methylsulfonyl)-
  • 7-fluoro-1-methyl-3-methylsulfonyl-4-quinolinone
  • 7-fluoro-1-methyl-3-methylsulfonyl-quinolin-4-one
  • 7-fluoro-1-methyl-3-methylsulfonylquinolin-4-one
  • 7-fluoro-3-mesyl-1-methyl-4-quinolone
  • bts 53554
  • bts-53554
  • flosequinoxan
CAS Number(s)
  • 76568-68-8
InChIKey ZUMVHPMHCIKNFT-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S