HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-[2-(5-Bromothiophen-2-yl)ethenyl]quinolin-8-ol
CHEMBRDG-BB 6634179 · 2-[(E)-2-(5-BROMO-2-THIENYL)VINYL]QUINOLIN-8-OL · 8-Quinolinol, 2-[2-(5-bromo-2-thienyl)ethenyl]- · 2-[(E)-2-(5-bromo-2-thienyl)vinyl]quinolin-8-ol(SALTDATA: FREE)
![2-[2-(5-Bromothiophen-2-yl)ethenyl]quinolin-8-ol molecular structure](/img/chemical/2906852.png)
Identifiers & Physical Properties
| CAS No. | 353517-94-9 |
|---|---|
| Molecular formula | C15H10BrNOS |
| Average molar mass | 332.2 g/mol |
| Monoisotopic mass | 330.96665 g/mol |
| SMILES | Oc1cccc2ccc(C=Cc3ccc(Br)s3)nc12 |
| InChIKey | XTQOBCQQVGVHDH-UHFFFAOYSA-N |
| PubChem CID | 2906852 |
| DTXSID | DTXSID80387740 |
Chemical & Physical Properties
| XLogP | 5 |
|---|---|
| Topological polar surface area | 61.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 338 |
| Melting point | 151-152 °C |
| Boiling point | 493.894±45.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.628±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 9.878±0.10(predicted) |