7-nitro-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-nitro-2H-1,4-benzoxazin-3(4H)-one
7-nitro-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | 8006-0781 |
| Compound Name: | 7-nitro-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 194.14 |
| Molecular Formula: | C8 H6 N2 O4 |
| Smiles: | C1C(Nc2ccc(cc2O1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0334 |
| logD: | 1.0308 |
| logSw: | -2.3851 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.89 |
| InChI Key: | YVGHCFMAEHXPBH-UHFFFAOYSA-N |