6-nitro-2H-1,3-benzodioxole-5-carbonitrile
Chemical Structure Depiction of
6-nitro-2H-1,3-benzodioxole-5-carbonitrile
6-nitro-2H-1,3-benzodioxole-5-carbonitrile
Compound characteristics
| Compound ID: | 8019-4546 |
| Compound Name: | 6-nitro-2H-1,3-benzodioxole-5-carbonitrile |
| Molecular Weight: | 192.13 |
| Molecular Formula: | C8 H4 N2 O4 |
| Smiles: | C1Oc2cc(C#N)c(cc2O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6677 |
| logD: | 1.6677 |
| logSw: | -2.246 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.491 |
| InChI Key: | VNGWPNXSSADQKK-UHFFFAOYSA-N |