2-(3-nitrophenyl)-4H-3,1-benzoxazin-4-one
Chemical Structure Depiction of
2-(3-nitrophenyl)-4H-3,1-benzoxazin-4-one
2-(3-nitrophenyl)-4H-3,1-benzoxazin-4-one
Compound characteristics
| Compound ID: | 4695-0106 |
| Compound Name: | 2-(3-nitrophenyl)-4H-3,1-benzoxazin-4-one |
| Molecular Weight: | 268.23 |
| Molecular Formula: | C14 H8 N2 O4 |
| Smiles: | c1ccc2c(c1)C(=O)OC(c1cccc(c1)[N+]([O-])=O)=N2 |
| Stereo: | ACHIRAL |
| logP: | 2.6063 |
| logD: | 2.6063 |
| logSw: | -3.6454 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.567 |
| InChI Key: | WKYQIWUAPDQQRV-UHFFFAOYSA-N |