4,4,4-Trifluoro-1-(4-Methoxyphenyl)-1,3-Butanedione

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Properties Simple | Detailed

Formula C11H9F3O3
IUPAC Name 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione
Molecular Mass 246.183 g·mol−1
Heat of Formation -1009.9 ± 16.7 kJ·mol−1
Dipole Moment 7.09 ± 1.08 D
Volume 259.97 Å 3
Surface Area 248.83 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-butanedione, 1,1,1-trifluoro-4-(4-methoxyphenyl)-
  • 2t-0839
  • tos-bb-0662
CAS Number(s)
  • 15191-68-1
InChIKey NNEIYSHJFCLFES-UHFFFAOYSA-N
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