HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-[(2-Methylbut-3-yn-2-yl)oxy]-4-nitrobenzene
![1-[(2-Methylbut-3-yn-2-yl)oxy]-4-nitrobenzene molecular structure](/img/chemical/10081663.png)
Identifiers & Physical Properties
| CAS No. | 2109-84-4 |
|---|---|
| Molecular formula | C11H11NO3 |
| Average molar mass | 205.21 g/mol |
| Monoisotopic mass | 205.07389321 g/mol |
| SMILES | C#CC(C)(C)Oc1ccc([N+](=O)[O-])cc1 |
| InChIKey | KUVSTBAMMGGNND-UHFFFAOYSA-N |
| PubChem CID | 10081663 |
| DTXSID | DTXSID90435302 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 55.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 276 |