HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,3-dibromo-4-(3-bromo-2-nitrophenyl)-1H-pyrrole
Bromonitrin B · 2,3-Dibromo-4-(3-bromo-2-nitrophenyl)-1H-pyrrole · 1H-Pyrrole, 2,3-dibromo-4-(3-bromo-2-nitrophenyl)-
Identifiers & Physical Properties
| CAS No. | 23305-91-1 |
|---|---|
| Molecular formula | C10H5Br3N2O2 |
| Average molar mass | 424.87 g/mol |
| SMILES | O=[N+]([O-])c1c(Br)cccc1-c1c[nH]c(Br)c1Br |
| InChIKey | KKRWRTLKLDICGB-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 4.6 |
|---|---|
| Topological polar surface area | 61.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 300 |