Pyroxasulfone

Molecule SVG Image

Properties Simple | Detailed

Formula C12H14F5N3O4S
IUPAC Name 3-[[5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-1-ium-2-id-4-yl]methylsulfonyl]-5,5-dimethyl-4h-isoxazole
Molecular Mass 391.314 g·mol−1
Heat of Formation -1421.3 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 388.15 Å 3
Surface Area 333.13 Å 2
HOMO Energy -10.11 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(difluoromethoxy)-4-[(5,5-dimethyl-4h-1,2-oxazol-3-yl)sulfonylmethyl]-1-methyl-3-(trifluoromethyl)pyrazole
  • 5-(difluoromethoxy)-4-[(5,5-dimethyl-4h-isoxazol-3-yl)sulfonylmethyl]-1-methyl-3-(trifluoromethyl)pyrazole
InChIKey CASLETQIYIQFTQ-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