Butafenacil

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Properties Simple | Detailed

Formula C20H18ClF3N2O6
IUPAC Name (2-allyloxy-1,1-dimethyl-2-oxo-ethyl) 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate
Molecular Mass 474.815 g·mol−1
Heat of Formation -1161.5 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 502.85 Å 3
Surface Area 425.59 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
Synonyms
  • (2-methyl-1-oxo-1-prop-2-enoxy-propan-2-yl) 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate
  • (2-methyl-1-oxo-1-prop-2-enoxypropan-2-yl) 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate
  • 2-(allyloxy)-1,1-dimethyl-2-oxoethyl 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2h)-yl]benzoate
  • 2-chloro-5-[2,6-diketo-3-methyl-4-(trifluoromethyl)pyrimidin-1-yl]benzoic acid (2-allyloxy-2-keto-1,1-dimethyl-ethyl) ester
  • 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1-pyrimidinyl]benzoic acid (2-allyloxy-1,1-dimethyl-2-oxoethyl) ester
CAS Number(s)
  • 134605-64-4
InChIKey JEDYYFXHPAIBGR-UHFFFAOYSA-N
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