7-methoxy-6-nitro-2H-1,3-benzodioxole-5-carbonitrile
Chemical Structure Depiction of
7-methoxy-6-nitro-2H-1,3-benzodioxole-5-carbonitrile
7-methoxy-6-nitro-2H-1,3-benzodioxole-5-carbonitrile
Compound characteristics
| Compound ID: | 8020-3055 |
| Compound Name: | 7-methoxy-6-nitro-2H-1,3-benzodioxole-5-carbonitrile |
| Molecular Weight: | 222.15 |
| Molecular Formula: | C9 H6 N2 O5 |
| Smiles: | COc1c(c(C#N)cc2c1OCO2)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9424 |
| logD: | 1.9424 |
| logSw: | -2.3732 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.591 |
| InChI Key: | FVEMLBFWHQZVHJ-UHFFFAOYSA-N |