6-chloro-3-[2-(3-nitrophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
6-chloro-3-[2-(3-nitrophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
6-chloro-3-[2-(3-nitrophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6059 |
| Compound Name: | 6-chloro-3-[2-(3-nitrophenyl)-2-oxoethylidene]-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 344.71 |
| Molecular Formula: | C16 H9 Cl N2 O5 |
| Smiles: | C(=C1/C(=O)Oc2ccc(cc2N1)[Cl])/C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7729 |
| logD: | 3.7634 |
| logSw: | -4.4038 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.776 |
| InChI Key: | NBHIEORUQOHYLL-UHFFFAOYSA-N |