Base information
| Cat. No. | |
| CAS No. | 1217366-74-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H12BrNO3 |
| Molecular Weight | 346.175 |
| Exact Mass | 345 |
| XLogP3 | 4.15848 |
| Mr | 80.009 |
| PSA | 51.48 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 35 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccc(cc1)Oc1ccc(c(c1)C1OCCO1)Br |
