Base information
| Cat. No. | |
| CAS No. | 54231-36-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11ClN2O |
| Molecular Weight | 198.649 |
| Exact Mass | 198.056 |
| XLogP3 | 1.6366 |
| Mr | 54.974 |
| PSA | 25.36 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 25 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Clc1cccnc1N1CCOCC1 |
