HuagongsheHuagongshe Chemistry Print Report · For research reference only
4,5-Dibromo-9,9-dimethyl-9H-xanthene
4,5-Dibromo-9,9-dimethyl-9H-xanthene · 9H-Xanthene, 4,5-dibromo-9,9-dimethyl-

Identifiers & Physical Properties
| CAS No. | 190789-35-6 |
|---|---|
| Molecular formula | C15H12Br2O |
| Average molar mass | 368.06 g/mol |
| Monoisotopic mass | 365.9254892 g/mol |
| SMILES | CC1(C)c2cccc(Br)c2Oc2c(Br)cccc21 |
| InChIKey | BPRHSTFUDDBCAQ-UHFFFAOYSA-N |
| PubChem CID | 15813174 |
| DTXSID | DTXSID40578516 |
Chemical & Physical Properties
| XLogP | 5.7 |
|---|---|
| Topological polar surface area | 9.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 290 |
| Boiling point | 397.5±42.0 °C(Predicted) |
| Density | 1.615±0.06 g/cm3(Predicted) |