Base information
| Cat. No. | |
| CAS No. | 53590-58-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8ClNO |
| Molecular Weight | 181.619 |
| Exact Mass | 181.029 |
| XLogP3 | 2.3136 |
| Mr | 49.4365 |
| PSA | 36.02 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OCc1cc2c([nH]1)cc(cc2)Cl |
