2-(4-methyl-3-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Chemical Structure Depiction of
2-(4-methyl-3-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
2-(4-methyl-3-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate
Compound characteristics
| Compound ID: | 8009-5775 |
| Compound Name: | 2-(4-methyl-3-nitrophenyl)-4-oxo-4H-3,1-benzoxazin-6-yl acetate |
| Molecular Weight: | 340.29 |
| Molecular Formula: | C17 H12 N2 O6 |
| Smiles: | CC(=O)Oc1ccc2c(c1)C(=O)OC(c1ccc(C)c(c1)[N+]([O-])=O)=N2 |
| Stereo: | ACHIRAL |
| logP: | 2.5048 |
| logD: | 2.5048 |
| logSw: | -3.0552 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.017 |
| InChI Key: | FXQUADJXHNAXPH-UHFFFAOYSA-N |