Base information
| Cat. No. | |
| CAS No. | 1227600-22-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6ClNO2 |
| Molecular Weight | 159.57 |
| Exact Mass | 159.009 |
| XLogP3 | 1.0369 |
| Mr | 38.5647 |
| PSA | 42.09 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc(=O)[nH]cc1Cl |
