2-{3,5-Dichloro-4-[4-(Methylsulfonyl)Phenoxy]Phenyl}-1-Methyl-1,2,4-Triazinane-3,5-Dione

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Formula C17H15Cl2N3O5S
IUPAC Name (1s)-2-[3,5-dichloro-4-(4-methylsulfonylphenoxy)phenyl]-1-methyl-1,2,4-triazinane-3,5-dione
Molecular Mass 444.289 g·mol−1
Heat of Formation -591.0 ± 16.7 kJ·mol−1
Dipole Moment 5.38 ± 1.08 D
Volume 452.13 Å 3
Surface Area 387.96 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,5-dichloro-4-(p-(methylsulfonyl)phenoxy)phenyl)dihydro-1-methyl-as-triazine-3,5(2h,4h)-dione
  • 2-[3,5-dichloro-4-(4-mesylphenoxy)phenyl]-1-methyl-1,2,4-triazinane-3,5-quinone
  • 2-[3,5-dichloro-4-(4-methylsulfonylphenoxy)phenyl]-1-methyl-1,2,4-triazinane-3,5-dione
  • sulazuril
CAS Number(s)
  • 108258-89-5
InChIKey AQAZEGOUFUGKBP-UHFFFAOYSA-N
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