HuagongsheHuagongshe Chemistry Print Report · For research reference only
8-Bromo-3-nitrochroman
Identifiers & Physical Properties
| Molecular formula | C9H8BrNO3 |
|---|---|
| Average molar mass | 258.07 g/mol |
| Monoisotopic mass | 256.96876 g/mol |
| SMILES | O=[N+]([O-])C1COc2c(Br)cccc2C1 |
| InChIKey | YQCFKPIFXGCPPB-UHFFFAOYSA-N |
| PubChem CID | 19087162 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 55.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 231 |