HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Bromo-2,5-dichlorobenzyl alcohol
3-Bromo-2,5-dichlorobenzyl alcohol · Benzenemethanol, 3-bromo-2,5-dichloro-
Identifiers & Physical Properties
| CAS No. | 1805119-74-7 |
|---|---|
| Molecular formula | C7H5BrCl2O |
| Average molar mass | 255.92 g/mol |
| Monoisotopic mass | 253.89008 g/mol |
| SMILES | OCc1cc(Cl)cc(Br)c1Cl |
| InChIKey | HDFQKWVHMUFHJI-UHFFFAOYSA-N |
| PubChem CID | 121591486 |
Chemical & Physical Properties
| XLogP | 3 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 134 |
| Boiling point | 331.2±37.0 °C(Predicted) |
| Density | 1.785±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 13.39±0.10(Predicted) |