2-(Ethoxymethyl)-4-(4-Fluorophenyl)-3-[2-(2-Hydroxyphenoxy)Pyrimidin-4-Yl]Isoxazol-5(2H)-One

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Formula C22H18FN3O5
IUPAC Name 2-(ethoxymethyl)-4-(4-fluorophenyl)-3-[2-(2-hydroxyphenoxy)pyrimidin-4-yl]isoxazol-5-one
Molecular Mass 423.394 g·mol−1
Heat of Formation -437.8 ± 16.7 kJ·mol−1
Dipole Moment 6.00 ± 1.08 D
Volume 476.88 Å 3
Surface Area 392.69 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 1.51 ± eV
Point Group Symmetry C1
Synonyms
  • pgj
InChIKey ZSOXFJURLPCSOO-UHFFFAOYSA-N
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