HuagongsheHuagongshe Chemistry Print Report · For research reference only
[(2-Chloro-6-nitro-phenyl)-thio]acetic acid
![[(2-Chloro-6-nitro-phenyl)-thio]acetic acid molecular structure](/img/chemical/20522282.png)
Identifiers & Physical Properties
| Molecular formula | C8H6ClNO4S |
|---|---|
| Average molar mass | 247.66 g/mol |
| Monoisotopic mass | 246.9706065 g/mol |
| SMILES | O=C(O)CSc1c(Cl)cccc1[N+](=O)[O-] |
| InChIKey | FCBMQJDORDUEIM-UHFFFAOYSA-N |
| PubChem CID | 20522282 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 108 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 258 |