4,7-dimethoxy-6-nitro-2H-1,3-benzodioxole-5-carbonitrile
Chemical Structure Depiction of
4,7-dimethoxy-6-nitro-2H-1,3-benzodioxole-5-carbonitrile
4,7-dimethoxy-6-nitro-2H-1,3-benzodioxole-5-carbonitrile
Compound characteristics
| Compound ID: | 8020-1757 |
| Compound Name: | 4,7-dimethoxy-6-nitro-2H-1,3-benzodioxole-5-carbonitrile |
| Molecular Weight: | 252.18 |
| Molecular Formula: | C10 H8 N2 O6 |
| Smiles: | COc1c(C#N)c(c(c2c1OCO2)OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6706 |
| logD: | 1.6706 |
| logSw: | -1.4205 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.992 |
| InChI Key: | TVVRDKZJGKTRTR-UHFFFAOYSA-N |