4,7-dimethoxy-5-nitro-2H-1,3-benzodioxole
Chemical Structure Depiction of
4,7-dimethoxy-5-nitro-2H-1,3-benzodioxole
4,7-dimethoxy-5-nitro-2H-1,3-benzodioxole
Compound characteristics
| Compound ID: | 8020-1995 |
| Compound Name: | 4,7-dimethoxy-5-nitro-2H-1,3-benzodioxole |
| Molecular Weight: | 227.17 |
| Molecular Formula: | C9 H9 N O6 |
| Smiles: | COc1cc(c(c2c1OCO2)OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5926 |
| logD: | 1.5926 |
| logSw: | -1.8593 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.15 |
| InChI Key: | IJTDXDMPPIHKCQ-UHFFFAOYSA-N |