2-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}benzonitrile
Chemical Structure Depiction of
2-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}benzonitrile
2-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}benzonitrile
Compound characteristics
| Compound ID: | 8005-4493 |
| Compound Name: | 2-{[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]amino}benzonitrile |
| Molecular Weight: | 295.25 |
| Molecular Formula: | C15 H9 N3 O4 |
| Smiles: | C1Oc2cc(/C=N/c3ccccc3C#N)c(cc2O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6475 |
| logD: | 2.6473 |
| logSw: | -3.3391 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.92 |
| InChI Key: | WSLDEPHDUVVRNF-UHFFFAOYSA-N |