7-chloro-2-(3,5-dinitrophenyl)-4H-3,1-benzoxazin-4-one
Chemical Structure Depiction of
7-chloro-2-(3,5-dinitrophenyl)-4H-3,1-benzoxazin-4-one
7-chloro-2-(3,5-dinitrophenyl)-4H-3,1-benzoxazin-4-one
Compound characteristics
| Compound ID: | 8008-4210 |
| Compound Name: | 7-chloro-2-(3,5-dinitrophenyl)-4H-3,1-benzoxazin-4-one |
| Molecular Weight: | 347.67 |
| Molecular Formula: | C14 H6 Cl N3 O6 |
| Smiles: | c1cc2C(=O)OC(c3cc(cc(c3)[N+]([O-])=O)[N+]([O-])=O)=Nc2cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3113 |
| logD: | 3.3113 |
| logSw: | -4.0924 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.949 |
| InChI Key: | WSVLEESHHBSVLT-UHFFFAOYSA-N |