7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile
Chemical Structure Depiction of
7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile
7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile
Compound characteristics
| Compound ID: | 8019-6267 |
| Compound Name: | 7-(2-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbonitrile |
| Molecular Weight: | 299.71 |
| Molecular Formula: | C16 H10 Cl N O3 |
| Smiles: | C1COc2cc(C(c3ccccc3[Cl])=O)c(C#N)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 3.0059 |
| logD: | 3.0059 |
| logSw: | -3.7512 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.585 |
| InChI Key: | FFHXRHIUAGJUJW-UHFFFAOYSA-N |