HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,2-Dimethyl-3alpha-cyano-6alpha-bromopenam
Identifiers & Physical Properties
| Molecular formula | C8H9BrN2OS |
|---|---|
| Average molar mass | 261.14 g/mol |
| SMILES | CC1(C)S[C@@H]2[C@@H](Br)C(=O)N2[C@H]1C#N |
| InChIKey | LSVNVRKVBJMROU-KZLJYQGOSA-N |
| PubChem CID | 12944713 |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 69.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 321 |