HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,5-Dichloro-2-methylbenzyl alcohol
3,5-Dichloro-2-methylbenzyl alcohol · Benzenemethanol, 3,5-dichloro-2-methyl-
Identifiers & Physical Properties
| CAS No. | 1804896-51-2 |
|---|---|
| Molecular formula | C8H8Cl2O |
| Average molar mass | 191.05 g/mol |
| Monoisotopic mass | 189.9952203 g/mol |
| SMILES | Cc1c(Cl)cc(Cl)cc1CO |
| InChIKey | ONCBVSNKMFOKMY-UHFFFAOYSA-N |
| PubChem CID | 23168789 |
Chemical & Physical Properties
| XLogP | 2.7 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 129 |
| Boiling point | 289.7±35.0 °C(Predicted) |
| Density | 1.332±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 13.80±0.10(Predicted) |