Base information
| Cat. No. | |
| CAS No. | 80403-82-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6ClNO3 |
| Molecular Weight | 175.57 |
| Exact Mass | 175.004 |
| XLogP3 | 1.3452 |
| Mr | 37.8648 |
| PSA | 63.33 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CCc1cc(no1)Cl |
