HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Bromo-4-iodo-1H-indazol-6-ol
1H-Indazol-6-ol, 3-bromo-4-iodo- · 4-Iodo-6-hydroxy-3-bromo (1H)indazole

Identifiers & Physical Properties
| CAS No. | 887570-23-2 |
|---|---|
| Molecular formula | C7H4BrIN2O |
| Average molar mass | 338.93 g/mol |
| SMILES | Oc1cc(I)c2c(Br)n[nH]c2c1 |
| InChIKey | UTRXUKQJINXHTJ-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 2.9 |
|---|---|
| Topological polar surface area | 48.9 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 183 |
| Boiling point | 501.1±50.0 °C(Predicted) |
| Density | 2.571±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 7.98±0.40(Predicted) |