HuagongsheHuagongshe Chemistry Print Report · For research reference only
Barbituric acid, 5-(2-bromoallyl)-5-ethyl-
Identifiers & Physical Properties
| CAS No. | 90561-02-7 |
|---|---|
| Molecular formula | C9H11BrN2O3 |
| Average molar mass | 275.1 g/mol |
| Monoisotopic mass | 273.9953 g/mol |
| SMILES | C=C(Br)CC1(CC)C(=O)NC(=O)NC1=O |
| InChIKey | MMHDZRQFUJUYOR-UHFFFAOYSA-N |
| PubChem CID | 56074 |
| DTXSID | DTXSID20238202 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 75.3 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 331 |