7-nitro-3-(2-oxopropylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
7-nitro-3-(2-oxopropylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
7-nitro-3-(2-oxopropylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6095 |
| Compound Name: | 7-nitro-3-(2-oxopropylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 248.19 |
| Molecular Formula: | C11 H8 N2 O5 |
| Smiles: | CC(\C=C1/C(=O)Oc2cc(ccc2N1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.815 |
| logD: | 0.8195 |
| logSw: | -2.3476 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.136 |
| InChI Key: | HXJFOWQJVAPSDE-UHFFFAOYSA-N |