Base information
| Cat. No. | |
| CAS No. | 42959-40-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H4ClNO3 |
| Molecular Weight | 173.554 |
| Exact Mass | 172.988 |
| XLogP3 | 1.1388 |
| Mr | 38.2293 |
| PSA | 70.42 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Oc1cnc(c(c1)C(=O)O)Cl |
