5-Amino-2-(4-Amino-3-Fluorophenyl)-6,8-Difluoro-7-Methyl-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C16H11F3N2O2
IUPAC Name 5-amino-2-(4-amino-3-fluoro-phenyl)-6,8-difluoro-7-methyl-chromen-4-one
Molecular Mass 320.266 g·mol−1
Heat of Formation -665.9 ± 16.7 kJ·mol−1
Dipole Moment 3.49 ± 1.08 D
Volume 332.03 Å 3
Surface Area 303.15 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-4-one, 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-
  • 5-amino-2-(4-amino-3-fluoro-phenyl)-6,8-difluoro-7-methyl-chromone
  • 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4-chromenone
  • 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methylchromen-4-one
  • aminoflavone
CAS Number(s)
  • 165179-35-1
InChIKey RTUZVPPGTJRELI-UHFFFAOYSA-N
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