HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Bromo-7-(gamma-bromopropyloxy)coumarin
Identifiers & Physical Properties
| Molecular formula | C12H10Br2O3 |
|---|---|
| Average molar mass | 362.01 g/mol |
| Monoisotopic mass | 359.89967 g/mol |
| SMILES | O=c1oc2cc(OCCCBr)ccc2cc1Br |
| InChIKey | LJHMPXBLMJNVTE-UHFFFAOYSA-N |
| PubChem CID | 21189372 |
Chemical & Physical Properties
| XLogP | 3.9 |
|---|---|
| Topological polar surface area | 35.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 317 |