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
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Synonyms
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- (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
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CAS Number(s) |
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InChIKey |
XBMPLXNNPNMNRV-UHFFFAOYSA-N |
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Links |
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Elements |
H
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