Base information
| Cat. No. | |
| CAS No. | 69966-56-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H10ClNO |
| Molecular Weight | 171.624 |
| Exact Mass | 171.045 |
| XLogP3 | 2.0151 |
| Mr | 45.982 |
| PSA | 29.96 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(=O)Cc1cccnc1.Cl |
