HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12377536Generated: October 25, 2026
[2-[3,5-bis(Acetoxymethyl)pyrazol-1-yl]-5-nitrophenyl]phenyl methanone
https://huagongshe.com/en/chemical/12377536
Identifiers & Physical Properties
| Molecular formula | C22H19N3O7 |
|---|
| Average molar mass | 437.4 g/mol |
|---|
| SMILES | CC(=O)OCc1cc(COC(C)=O)n(-c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)n1 |
|---|
| InChIKey | QKBBDRSWQWDTBF-UHFFFAOYSA-N |
|---|
| PubChem CID | 12377536 |
|---|
Chemical & Physical Properties
| XLogP | 2.5 |
|---|
| Topological polar surface area | 133 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 8 |
|---|
| Rotatable bonds | 9 |
|---|
| Heavy atoms | 32 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 704 |
|---|
![[2-[3,5-bis(Acetoxymethyl)pyrazol-1-yl]-5-nitrophenyl]phenyl methanone molecular structure](/img/chemical/12377536.png)