Base information
| Cat. No. | |
| CAS No. | 1198-67-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H4Br3NO2 |
| Molecular Weight | 361.813 |
| Exact Mass | 358.779 |
| XLogP3 | 3.0888 |
| Mr | 55.1722 |
| PSA | 42.09 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1[nH]c(c(c1Br)Br)Br |
