4-[1,3-bis(3-nitrophenyl)triaz-2-en-1-yl]butanenitrile
Chemical Structure Depiction of
4-[1,3-bis(3-nitrophenyl)triaz-2-en-1-yl]butanenitrile
4-[1,3-bis(3-nitrophenyl)triaz-2-en-1-yl]butanenitrile
Compound characteristics
| Compound ID: | 1896-0163 |
| Compound Name: | 4-[1,3-bis(3-nitrophenyl)triaz-2-en-1-yl]butanenitrile |
| Molecular Weight: | 354.32 |
| Molecular Formula: | C16 H14 N6 O4 |
| Smiles: | C(CC#N)CN(c1cccc(c1)[N+]([O-])=O)/N=N/c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0459 |
| logD: | 3.0459 |
| logSw: | -3.2436 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 107.604 |
| InChI Key: | RKACDZJGVYAMQS-UHFFFAOYSA-N |