HuagongsheHuagongshe Chemistry Print Report · For research reference only
(2S)-2-(4-Bromophenoxy)butanoic acid, methyl ester
Identifiers & Physical Properties
| Molecular formula | C11H13BrO3 |
|---|---|
| Average molar mass | 273.12 g/mol |
| Monoisotopic mass | 272.00481 g/mol |
| SMILES | CC[C@H](Oc1ccc(Br)cc1)C(=O)OC |
| InChIKey | BEVSUQKCPNGGOG-JTQLQIEISA-N |
| PubChem CID | 15744155 |
Chemical & Physical Properties
| XLogP | 3.4 |
|---|---|
| Topological polar surface area | 35.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 5 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 200 |