HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(5-Bromo-2-thienyl)quinoxaline
2-(5-bromo-2-thienyl)quinoxaline · Quinoxaline, 2-(5-bromo-2-thienyl)- · 2-(5-BroMothiophen-2-yl)quinoxaline
Identifiers & Physical Properties
| CAS No. | 175135-75-8 |
|---|---|
| Molecular formula | C12H7BrN2S |
| Average molar mass | 291.17 g/mol |
| Monoisotopic mass | 289.95133 g/mol |
| SMILES | Brc1ccc(-c2cnc3ccccc3n2)s1 |
| InChIKey | UFHGFAOYCJJCPJ-UHFFFAOYSA-N |
| PubChem CID | 2801034 |
| DTXSID | DTXSID70384208 |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 54 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 251 |
| Boiling point | 390.1±37.0 °C(Predicted) |
| Density | 1.609±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | -0.28±0.30(Predicted) |