HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Bromomethyl-benzoic acid 2,2,2-trichloro-ethyl ester
Identifiers & Physical Properties
| Molecular formula | C10H8BrCl3O2 |
|---|---|
| Average molar mass | 346.4 g/mol |
| SMILES | O=C(OCC(Cl)(Cl)Cl)c1ccccc1CBr |
| InChIKey | HKROVVNLFBYKLP-UHFFFAOYSA-N |
| PubChem CID | 66865249 |
Chemical & Physical Properties
| XLogP | 4.2 |
|---|---|
| Topological polar surface area | 26.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 4 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 243 |