Base information
| Cat. No. | |
| CAS No. | 111205-30-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14ClNO2 |
| Molecular Weight | 239.698 |
| Exact Mass | 239.071 |
| XLogP3 | 2.7905 |
| Mr | 62.7655 |
| PSA | 39.19 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 31 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)c1cnc2c(c1Cl)CCCC2 |