HuagongsheHuagongshe Chemistry Print Report · For research reference only
Butyl 3-bromoundec-2-enoate
Identifiers & Physical Properties
| CAS No. | 832734-27-7 |
|---|---|
| Molecular formula | C15H27BrO2 |
| Average molar mass | 319.28 g/mol |
| Monoisotopic mass | 318.11944 g/mol |
| SMILES | CCCCCCCCC(Br)=CC(=O)OCCCC |
| InChIKey | QEOMIYDYRBIKIN-UHFFFAOYSA-N |
| PubChem CID | 71415744 |
| DTXSID | DTXSID20835154 |
Chemical & Physical Properties
| XLogP | 6.2 |
|---|---|
| Topological polar surface area | 26.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 12 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 237 |