Base information
| Cat. No. | |
| CAS No. | 1427420-85-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H4ClNO |
| Molecular Weight | 177.587 |
| Exact Mass | 176.998 |
| XLogP3 | 2.95788 |
| Mr | 45.939 |
| PSA | 36.93 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cc(Cl)c2c(c1)cco2 |
