Mesotrione

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Properties Simple | Detailed

Formula C14H13NO7S
IUPAC Name 2-(4-methylsulfonyl-2-nitro-benzoyl)cyclohexane-1,3-dione
Molecular Mass 339.321 g·mol−1
Heat of Formation -731.3 ± 16.7 kJ·mol−1
Dipole Moment 7.55 ± 1.08 D
Volume 356.85 Å 3
Surface Area 304.08 Å 2
HOMO Energy -10.60 ± 0.55 eV
LUMO Energy -1.92 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-cyclohexanedione, 2-(4-(methylsulfonyl)-2-nitrobenzoyl)-
  • 2-(4-mesyl-2-nitro-benzoyl)cyclohexane-1,3-quinone
  • 2-(4-mesyl-2-nitrobenzoyl)-1,3-cyclohexanedione
  • 2-(4-methylsulfonyl-2-nitro-phenyl)carbonylcyclohexane-1,3-dione
  • 2-[(4-methylsulfonyl-2-nitrophenyl)-oxomethyl]cyclohexane-1,3-dione
  • 2-[4-(methanesulfonyl)-2-nitrobenzoyl]cyclohexane-1,3-dione
  • 2-[4-(methylsulfonyl)-2-nitrobenzoyl]cyclohexane-1,3-dione
  • za 1296
CAS Number(s)
  • 104206-82-8
  • 207996-81-4
  • 435270-61-4
InChIKey KPUREKXXPHOJQT-UHFFFAOYSA-N
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