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 |