HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Nitro-3-(4-chlorophenyl)heptanedioic acid dimethyl ester

Identifiers & Physical Properties
| Molecular formula | C15H18ClNO6 |
|---|---|
| Average molar mass | 343.76 g/mol |
| SMILES | COC(=O)CCC(C(CC(=O)OC)c1ccc(Cl)cc1)[N+](=O)[O-] |
| InChIKey | LQEKYHARTVGZPB-UHFFFAOYSA-N |
| PubChem CID | 54046868 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 98.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 9 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 417 |