HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 4-((3-bromopyridin-2-yl)methoxy)benzoate

Identifiers & Physical Properties
| CAS No. | 1126370-02-2 |
|---|---|
| Molecular formula | C14H12BrNO3 |
| Average molar mass | 322.15 g/mol |
| Monoisotopic mass | 321.00005534 g/mol |
| SMILES | COC(=O)c1ccc(OCc2ncccc2Br)cc1 |
| InChIKey | ATOOPJMARKBGGU-UHFFFAOYSA-N |
| PubChem CID | 68725036 |
| DTXSID | DTXSID001181126 |
Chemical & Physical Properties
| XLogP | 2.9 |
|---|---|
| Topological polar surface area | 48.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 5 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 292 |