Base information
| Cat. No. | |
| CAS No. | 745075-82-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8ClNO |
| Molecular Weight | 181.619 |
| Exact Mass | 181.029 |
| XLogP3 | 2.1723 |
| Mr | 47.2595 |
| PSA | 29.96 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Clc1cc(C)c2c(n1)C(=O)CC2 |
