HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(4-[(4-Chlorophenyl)thio]-3-nitrophenyl)ethan-1-one
4'-Chlor-2-nitro-4-acetyl-diphenylsulfid · 4-(4-CHLOROPHENYLTHIO)-3-NITROACETOPHENONE · Ethanone, 1-[4-[(4-chlorophenyl)thio]-3-nitrophenyl]- · 1-(4-[(4-CHLOROPHENYL)THIO]-3-NITROPHENYL)ETHAN-1-ONE
![1-(4-[(4-Chlorophenyl)thio]-3-nitrophenyl)ethan-1-one molecular structure](/img/chemical/736721.png)
Identifiers & Physical Properties
| CAS No. | 19688-55-2 |
|---|---|
| Molecular formula | C14H10ClNO3S |
| Average molar mass | 307.8 g/mol |
| Monoisotopic mass | 307.006992 g/mol |
| SMILES | CC(=O)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 |
| InChIKey | WQWKNHMUSMKWBF-UHFFFAOYSA-N |
| PubChem CID | 736721 |
| DTXSID | DTXSID30353091 |
Chemical & Physical Properties
| XLogP | 4.1 |
|---|---|
| Topological polar surface area | 88.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 366 |
| Melting point | 133 °C |
| Boiling point | 433.1±45.0 °C(Predicted) |
| Density | 1.42±0.1 g/cm3(Predicted) |