HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,4-Bis(pentachlorophenoxy)quinazoline
Identifiers & Physical Properties
| CAS No. | 61067-67-2 |
|---|---|
| Molecular formula | C20H4Cl10N2O2 |
| Average molar mass | 658.8 g/mol |
| Monoisotopic mass | 653.715804 g/mol |
| SMILES | Clc1c(Cl)c(Cl)c(Oc2nc(Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c3ccccc3n2)c(Cl)c1Cl |
| InChIKey | NMFFGRBEXFRUKS-UHFFFAOYSA-N |
| PubChem CID | 12372233 |
| DTXSID | DTXSID20494907 |
Chemical & Physical Properties
| XLogP | 11.5 |
|---|---|
| Topological polar surface area | 44.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 34 |
| Formal charge | 0 |
| Complexity | 668 |