HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Chloro-5-methoxybenzofuran
3-chloro-5-methoxybenzofuran · Benzofuran, 3-chloro-5-methoxy-

Identifiers & Physical Properties
| CAS No. | 77440-96-1 |
|---|---|
| Molecular formula | C9H7ClO2 |
| Average molar mass | 182.6 g/mol |
| Monoisotopic mass | 182.0134572 g/mol |
| SMILES | COc1ccc2occ(Cl)c2c1 |
| InChIKey | UBLUZCOPISMJNJ-UHFFFAOYSA-N |
| PubChem CID | 12617618 |
| DTXSID | DTXSID10504504 |
Chemical & Physical Properties
| XLogP | 2.9 |
|---|---|
| Topological polar surface area | 22.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 163 |
| Storage conditions | 2-8°C |