Tritosulfuron

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Properties Simple | Detailed

Formula C13H9F6N5O4S
IUPAC Name 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonyl-urea
Molecular Mass 445.297 g·mol−1
Heat of Formation -1626.5 ± 16.7 kJ·mol−1
Dipole Moment 5.98 ± 1.08 D
Volume 415.31 Å 3
Surface Area 362.32 Å 2
HOMO Energy -10.75 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-urea
  • 3-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-1-[2-(trifluoromethyl)phenyl]sulfonylurea
  • 3-[4-methoxy-6-(trifluoromethyl)-s-triazin-2-yl]-1-[2-(trifluoromethyl)phenyl]sulfonyl-urea
  • bas 635
  • n-[(4-methoxy-6-trifluoromethyl-1,3,5-triazin-2-yl)aminocarbonyl]-2-(trifluoromethyl)benzenesulfonamide
InChIKey KVEQCVKVIFQSGC-UHFFFAOYSA-N
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