Isoxaflutole

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Properties Simple | Detailed

Formula C15H12F3NO4S
IUPAC Name (5-cyclopropylisoxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone
Molecular Mass 359.320 g·mol−1
Heat of Formation -900.5 ± 16.7 kJ·mol−1
Dipole Moment 5.41 ± 1.08 D
Volume 370.71 Å 3
Surface Area 319.23 Å 2
HOMO Energy -10.34 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
Synonyms
  • (5-cyclopropyl-1,2-oxazol-4-yl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone
  • (5-cyclopropyl-4-isoxazolyl)(2-(methylsulfonyl)-4-(trifluoromethyl)phenyl)methanone
  • (5-cyclopropyl-4-isoxazolyl)-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]methanone
  • (5-cyclopropylisoxazol-4-yl)-[2-mesyl-4-(trifluoromethyl)phenyl]methanone
  • (5-cyclopropylisoxazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone
  • 5-cyclopropyl-4-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]isoxazole
  • exp 31130a
  • ift cpd
  • merlin
  • methanone, (5-cyclopropyl-4-isoxazolyl)(2-(methylsulfonyl)-4-(trifluoromethyl)phenyl)-
  • rp 201772
  • rpa 201772
CAS Number(s)
  • 141112-29-0
InChIKey OYIKARCXOQLFHF-UHFFFAOYSA-N
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