HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Bromo-1,4-dioxo-1,4-dihydroanthracen-9-YL acetate
Identifiers & Physical Properties
| CAS No. | 579492-00-5 |
|---|---|
| Molecular formula | C16H9BrO4 |
| Average molar mass | 345.14 g/mol |
| Monoisotopic mass | 343.96842 g/mol |
| SMILES | CC(=O)Oc1c2c(cc3ccccc13)C(=O)C(Br)=CC2=O |
| InChIKey | JHDGNORIALQCAG-UHFFFAOYSA-N |
| PubChem CID | 71440887 |
| DTXSID | DTXSID30849848 |
Chemical & Physical Properties
| XLogP | 3.4 |
|---|---|
| Topological polar surface area | 60.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 524 |