HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 4-bromo-3-(tetrahydropyran-2-yloxy)benzoate
Identifiers & Physical Properties
| Molecular formula | C13H15BrO4 |
|---|---|
| Average molar mass | 315.16 g/mol |
| Monoisotopic mass | 314.01537 g/mol |
| SMILES | COC(=O)c1ccc(Br)c(OC2CCCCO2)c1 |
| InChIKey | SRCOYUDAZAKWHF-UHFFFAOYSA-N |
| PubChem CID | 16747841 |
Chemical & Physical Properties
| XLogP | 3.3 |
|---|---|
| Topological polar surface area | 44.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 284 |