6-chloro-4,7-dimethoxy-2H-1,3-benzodioxole-5-carbonitrile oxide
Chemical Structure Depiction of
6-chloro-4,7-dimethoxy-2H-1,3-benzodioxole-5-carbonitrile oxide
6-chloro-4,7-dimethoxy-2H-1,3-benzodioxole-5-carbonitrile oxide
Compound characteristics
| Compound ID: | 8019-5344 |
| Compound Name: | 6-chloro-4,7-dimethoxy-2H-1,3-benzodioxole-5-carbonitrile oxide |
| Molecular Weight: | 257.63 |
| Molecular Formula: | C10 H8 Cl N O5 |
| Smiles: | COc1c(C#[N+][O-])c(c(c2c1OCO2)OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.1906 |
| logD: | 2.1906 |
| logSw: | -3.4981 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 66.928 |
| InChI Key: | MJHGBDKZQLPHOI-UHFFFAOYSA-N |