Methyl (2Z)-2-[2-({[2-Isopropoxy-6-(Trifluoromethyl)-4-Pyrimidinyl]Oxy}Methyl)Phenyl]-3-Methoxyacrylate

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Properties Simple | Detailed

Formula C20H21F3N2O5
IUPAC Name methyl (z)-2-[2-[[2-isopropoxy-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]-3-methoxy-prop-2-enoate
Molecular Mass 426.386 g·mol−1
Heat of Formation -1260.0 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 483.25 Å 3
Surface Area 389.3 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-2-[2-[[2-isopropoxy-6-(trifluoromethyl)-4-pyrimidinyl]oxymethyl]phenyl]-3-methoxyprop-2-enoic acid methyl ester
  • (z)-2-[2-[[2-isopropoxy-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]-3-methoxy-acrylic acid methyl ester
  • methyl (z)-2-[2-[[2-isopropoxy-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]-3-methoxy-prop-2-enoate
  • methyl (z)-3-methoxy-2-[2-[[2-propan-2-yloxy-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]prop-2-enoate
InChIKey MXWAGQASUDSFBG-PTNGSMBKSA-N
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