8-nitro-2,3-dihydro-1,4-benzodioxine-6-carbonitrile
Chemical Structure Depiction of
8-nitro-2,3-dihydro-1,4-benzodioxine-6-carbonitrile
8-nitro-2,3-dihydro-1,4-benzodioxine-6-carbonitrile
Compound characteristics
| Compound ID: | 8020-6479 |
| Compound Name: | 8-nitro-2,3-dihydro-1,4-benzodioxine-6-carbonitrile |
| Molecular Weight: | 206.15 |
| Molecular Formula: | C9 H6 N2 O4 |
| Smiles: | C1COc2c(cc(C#N)cc2O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.8419 |
| logD: | 0.8419 |
| logSw: | -1.3514 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.883 |
| InChI Key: | MJTHLSFRYASTLW-UHFFFAOYSA-N |