HuagongsheHuagongshe Chemistry Print Report · For research reference only
(4-Chloro-2-nitrophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
1-{4-chloro-2-nitrobenzoyl}-4-(4-chlorophenyl)piperazine
![(4-Chloro-2-nitrophenyl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone molecular structure](/img/chemical/178697293.png)
Identifiers & Physical Properties
| CAS No. | 550306-34-8 |
|---|---|
| Molecular formula | C17H15Cl2N3O3 |
| Average molar mass | 380.2 g/mol |
| Monoisotopic mass | 379.0490467 g/mol |
| SMILES | O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2ccc(Cl)cc2)CC1 |
| InChIKey | AOCRAWYVRKQBGG-UHFFFAOYSA-N |
| PubChem CID | 1220976 |
Chemical & Physical Properties
| XLogP | 4.1 |
|---|---|
| Topological polar surface area | 69.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 486 |