HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,3,5-Tribromo-4,4-dimethylcyclopent-2-en-1-one
2,3,5-TRIBROMO-4,4-DIMETHYLCYCLOPENT-2-EN-1-ONE · 2-Cyclopenten-1-one, 2,3,5-tribromo-4,4-dimethyl-
Identifiers & Physical Properties
| CAS No. | 23078-55-9 |
|---|---|
| Molecular formula | C7H7Br3O |
| Average molar mass | 346.84 g/mol |
| Monoisotopic mass | 343.8047 g/mol |
| SMILES | CC1(C)C(Br)=C(Br)C(=O)C1Br |
| InChIKey | GDOWPVPCUGJNFA-UHFFFAOYSA-N |
| PubChem CID | 2777060 |
| DTXSID | DTXSID80380357 |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 242 |
| Melting point | 87 °C |
| Boiling point | 301.2±42.0 °C(Predicted) |
| Density | 2.223±0.06 g/cm3(Predicted) |