(4-Azido-2,3,5,6-Tetrafluorophenyl)[6-Hydroxy-2-(4-Hydroxyphenyl)-1-Benzothiophen-3-Yl]Methanone

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Properties Simple | Detailed

Formula C21H10F4N3O3S
IUPAC Name (4-azido-2,3,5,6-tetrafluoro-phenyl)-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]methanone
Molecular Mass 460.381 g·mol−1
Heat of Formation -552.2 ± 16.7 kJ·mol−1
Dipole Moment 4.82 ± 1.08 D
Volume 458.89 Å 3
Surface Area 381.59 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -1.90 ± eV
Point Group Symmetry C1
Synonyms
  • (4-azido-2,3,5,6-tetrafluoro-phenyl)-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]methanone
  • (4-azido-2,3,5,6-tetrafluorophenyl)-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]methanone
  • (4-azido-2,3,5,6-tetrafluorophenyl)-[6-hydroxy-2-(4-hydroxyphenyl)-3-benzothiophenyl]methanone
  • 3-(4-azido-2,3,5,6-tetrafluorobenzoyl)-6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thiophene
  • methanone, (4-azido-2,3,5,6-tetrafluorophenyl)(6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)-
  • tetrafluoroaryl azide, tfaa
CAS Number(s)
  • 131589-59-8
InChIKey ASGVFRXBCDLYDP-UHFFFAOYSA-N
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