HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 2-(2-chloro-4-methyl-6-phenylpyrimidin-5-yl)acetate
Identifiers & Physical Properties
| Molecular formula | C14H13ClN2O2 |
|---|---|
| Average molar mass | 276.72 g/mol |
| Monoisotopic mass | 276.0665554 g/mol |
| SMILES | COC(=O)Cc1c(C)nc(Cl)nc1-c1ccccc1 |
| InChIKey | AACUYDGDHJIDSW-UHFFFAOYSA-N |
| PubChem CID | 86665645 |
Chemical & Physical Properties
| XLogP | 3 |
|---|---|
| Topological polar surface area | 52.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 308 |