HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-diphenoxyphosphoryl-5-methyl-4-nitro-2-phenylpyrazol-3-amine
diphenyl 4-nitro-3-methyl-1-phenyl-1H-pyrazol-5-ylamidophosphate
Identifiers & Physical Properties
| CAS No. | 380633-61-4 |
|---|---|
| Molecular formula | C22H19N4O5P |
| Average molar mass | 450.4 g/mol |
| Monoisotopic mass | 450.10930672 g/mol |
| SMILES | Cc1nn(-c2ccccc2)c(NP(=O)(Oc2ccccc2)Oc2ccccc2)c1[N+](=O)[O-] |
| InChIKey | GXGOTNFPRCVSBV-UHFFFAOYSA-N |
| PubChem CID | 4080790 |
Chemical & Physical Properties
| XLogP | 6.1 |
|---|---|
| Topological polar surface area | 111 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 7 |
| Heavy atoms | 32 |
| Formal charge | 0 |
| Complexity | 635 |