6-nitro-2-[2-(4-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one
Chemical Structure Depiction of
6-nitro-2-[2-(4-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one
6-nitro-2-[2-(4-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one
Compound characteristics
| Compound ID: | 8002-5459 |
| Compound Name: | 6-nitro-2-[2-(4-nitrophenyl)ethenyl]-4H-3,1-benzoxazin-4-one |
| Molecular Weight: | 339.26 |
| Molecular Formula: | C16 H9 N3 O6 |
| Smiles: | C(=C/c1ccc(cc1)[N+]([O-])=O)\C1=Nc2ccc(cc2C(=O)O1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2092 |
| logD: | 3.2092 |
| logSw: | -3.8232 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.094 |
| InChI Key: | FSDWGEOOHRMMHP-FPYGCLRLSA-N |