(4-Azidophenyl)(6-Hydroxy-2-(4-Hydroxyphenyl)Benzo(B)Thien-3-Yl)Methanone

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Properties Simple | Detailed

Formula C21H13N3O3S
IUPAC Name (4-azidophenyl)-[6-hydroxy-2-(4-hydroxyphenyl)benzothiophen-3-yl]methanone
Molecular Mass 387.411 g·mol−1
Heat of Formation 149.3 ± 16.7 kJ·mol−1
Dipole Moment 2.57 ± 1.08 D
Volume 433.87 Å 3
Surface Area 350.31 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
Synonyms
  • (4-azidophenyl)-[6-hydroxy-2-(4-hydroxyphenyl)-3-benzothiophenyl]methanone
  • 3-(4-azidobenzoyl)-6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thiophene
  • methanone, (4-azidophenyl)(6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)-
  • protioaryl azide, paa
CAS Number(s)
  • 131589-60-1
InChIKey XBMPLXNNPNMNRV-UHFFFAOYSA-N
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