7-chloro-2-(4-methoxy-3-nitrophenyl)-4H-3,1-benzoxazin-4-one
Chemical Structure Depiction of
7-chloro-2-(4-methoxy-3-nitrophenyl)-4H-3,1-benzoxazin-4-one
7-chloro-2-(4-methoxy-3-nitrophenyl)-4H-3,1-benzoxazin-4-one
Compound characteristics
| Compound ID: | 0615-6077 |
| Compound Name: | 7-chloro-2-(4-methoxy-3-nitrophenyl)-4H-3,1-benzoxazin-4-one |
| Molecular Weight: | 332.7 |
| Molecular Formula: | C15 H9 Cl N2 O5 |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C1=Nc2cc(ccc2C(=O)O1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.9684 |
| logD: | 2.9684 |
| logSw: | -3.7421 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.896 |
| InChI Key: | QVQAGLGCIRFLOD-UHFFFAOYSA-N |