2-{4-[3-(4-Fluorobenzyl)-4-Hydroxyphenoxy]-3,5-Dimethylphenyl}-1,2,4-Triazine-3,5(2H,4H)-Dione

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Formula C24H20FN3O4
IUPAC Name 2-[4-[3-[(4-fluorophenyl)methyl]-4-hydroxy-phenoxy]-3,5-dimethyl-phenyl]-1,2,4-triazine-3,5-dione
Molecular Mass 433.432 g·mol−1
Heat of Formation -501.4 ± 16.7 kJ·mol−1
Dipole Moment 2.15 ± 1.08 D
Volume 500.8 Å 3
Surface Area 409.18 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[3-(4-fluorobenzyl)-4-hydroxy-phenoxy]-3,5-dimethyl-phenyl]-1,2,4-triazine-3,5-quinone
InChIKey HQXKNHQWCAXRDN-UHFFFAOYSA-N
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