HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,5-Dibromopyridine-2-sulfonic acid
3,5-Dibromoyridine-2-sulfonic acid · 2-Pyridinesulfonic acid, 3,5-dibromo-

Identifiers & Physical Properties
| CAS No. | 856163-60-5 |
|---|---|
| Molecular formula | C5H3Br2NO3S |
| Average molar mass | 316.96 g/mol |
| Monoisotopic mass | 314.82003816 g/mol |
| SMILES | O=S(=O)(O)c1ncc(Br)cc1Br |
| InChIKey | RTQRTISCNCOXMO-UHFFFAOYSA-N |
| PubChem CID | 53485312 |
| DTXSID | DTXSID30704504 |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 75.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 250 |
| Density | 2.300±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | -2.19±0.50(Predicted) |