Base information
| Cat. No. | |
| CAS No. | 636-80-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6ClNO2 |
| Molecular Weight | 159.57 |
| Exact Mass | 159.009 |
| XLogP3 | 1.5818 |
| Mr | 38.1613 |
| PSA | 50.19 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1ccccn1.Cl |
