Base information
| Cat. No. | |
| CAS No. | 1236162-22-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6ClNO |
| Molecular Weight | 179.603 |
| Exact Mass | 179.014 |
| XLogP3 | 2.5938 |
| Mr | 48.776 |
| PSA | 33.12 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Clc1cc(O)c2c(c1)nccc2 |
