3-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-(4-nitrophenyl)prop-2-enenitrile
Chemical Structure Depiction of
3-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-(4-nitrophenyl)prop-2-enenitrile
3-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-(4-nitrophenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 2106-0591 |
| Compound Name: | 3-(6-nitro-2H-1,3-benzodioxol-5-yl)-2-(4-nitrophenyl)prop-2-enenitrile |
| Molecular Weight: | 339.26 |
| Molecular Formula: | C16 H9 N3 O6 |
| Smiles: | C1Oc2cc(/C=C(C#N)/c3ccc(cc3)[N+]([O-])=O)c(cc2O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4604 |
| logD: | 3.4604 |
| logSw: | -3.8573 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 100.601 |
| InChI Key: | AKUZJBQEUPEONU-UHFFFAOYSA-N |