HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,3,5-Pentanetricarbonitrile, 3-(p-nitrophenyl)-
Identifiers & Physical Properties
| CAS No. | 42307-77-7 |
|---|---|
| Molecular formula | C14H12N4O2 |
| Average molar mass | 268.27 g/mol |
| Monoisotopic mass | 268.09602564 g/mol |
| SMILES | N#CCCC(C#N)(CCC#N)c1ccc([N+](=O)[O-])cc1 |
| InChIKey | KNAXGTWWNINUMR-UHFFFAOYSA-N |
| PubChem CID | 99208 |
| DTXSID | DTXSID30962420 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 117 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 5 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 467 |