HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(Bromomethyl)-1,2-phenylene diacetate
4-(Bromomethyl)-1,2-phenylene diacetate · 1,2-Benzenediol, 4-(bromomethyl)-, 1,2-diacetate
Identifiers & Physical Properties
| CAS No. | 124254-92-8 |
|---|---|
| Molecular formula | C11H11BrO4 |
| Average molar mass | 287.11 g/mol |
| SMILES | CC(=O)Oc1ccc(CBr)cc1OC(C)=O |
| InChIKey | NOUXXHFLLIWASN-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 1.6 |
|---|---|
| Topological polar surface area | 52.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 5 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 267 |