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

Molecule SVG Image

Properties Simple | Detailed

Formula C21H9F4N3O3S
IUPAC Name (4-azido-2,3,5,6-tetrafluoro-phenyl)-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]methanone
Molecular Mass 459.373 g·mol−1
Heat of Formation -564.3 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 466.88 Å 3
Surface Area 367.56 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.77 ± 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
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S