Base information
| Cat. No. | |
| CAS No. | 14548-50-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8ClNO |
| Molecular Weight | 181.619 |
| Exact Mass | 181.029 |
| XLogP3 | 2.3627 |
| Mr | 51.5517 |
| PSA | 29.1 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Clc1cc2NC(=O)CCc2cc1 |
