4,6-dichloro-7-methoxy-2H-1,3-benzodioxole-5-carbonitrile oxide
Chemical Structure Depiction of
4,6-dichloro-7-methoxy-2H-1,3-benzodioxole-5-carbonitrile oxide
4,6-dichloro-7-methoxy-2H-1,3-benzodioxole-5-carbonitrile oxide
Compound characteristics
| Compound ID: | 8019-5364 |
| Compound Name: | 4,6-dichloro-7-methoxy-2H-1,3-benzodioxole-5-carbonitrile oxide |
| Molecular Weight: | 262.05 |
| Molecular Formula: | C9 H5 Cl2 N O4 |
| Smiles: | COc1c2c(c(c(C#[N+][O-])c1[Cl])[Cl])OCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.7496 |
| logD: | 2.7496 |
| logSw: | -3.9291 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 59.21 |
| InChI Key: | HSTMCOLFDTUWHB-UHFFFAOYSA-N |