HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Bromo-2-(2-morpholinoethylamino)benzonitrile

Identifiers & Physical Properties
| Molecular formula | C13H16BrN3O |
|---|---|
| Average molar mass | 310.19 g/mol |
| Monoisotopic mass | 309.04767 g/mol |
| SMILES | N#Cc1cc(Br)ccc1NCCN1CCOCC1 |
| InChIKey | JNMVCQVRHLHGAT-UHFFFAOYSA-N |
| PubChem CID | 18367607 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 48.3 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 298 |