Base information
| Cat. No. | |
| CAS No. | 339586-00-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8ClNO |
| Molecular Weight | 169.608 |
| Exact Mass | 169.029 |
| XLogP3 | 2.246 |
| Mr | 44.4075 |
| PSA | 29.96 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Clc1cc(C)nc(c1)C(=O)C |
