HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(3-Azabicyclo[3.1.0]hexan-3-yl)-2-chloropropan-1-one
Reaxys ID: 1636688 · 1-Propanone, 1-(3-azabicyclo[3.1.0]hex-3-yl)-2-chloro- · 3-Azabicyclo[3.1.0]hexane, 3-(2-chloro-1-oxopropyl)- (9CI)
![1-(3-Azabicyclo[3.1.0]hexan-3-yl)-2-chloropropan-1-one molecular structure](/img/chemical/178804313.png)
Identifiers & Physical Properties
| CAS No. | 54152-18-0 |
|---|---|
| Molecular formula | C8H12ClNO |
| Average molar mass | 173.64 g/mol |
| SMILES | CC(Cl)C(=O)N1CC2CC2C1 |
| InChIKey | ZQHGNLJZPMTINE-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 1.2 |
|---|---|
| Topological polar surface area | 20.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 185 |