6-bromo-3-{1-[2-(2,4-dinitrophenyl)hydrazinylidene]ethyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-bromo-3-{1-[2-(2,4-dinitrophenyl)hydrazinylidene]ethyl}-2H-1-benzopyran-2-one
6-bromo-3-{1-[2-(2,4-dinitrophenyl)hydrazinylidene]ethyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 1968-3753 |
| Compound Name: | 6-bromo-3-{1-[2-(2,4-dinitrophenyl)hydrazinylidene]ethyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 447.2 |
| Molecular Formula: | C17 H11 Br N4 O6 |
| Smiles: | C\C(C1=Cc2cc(ccc2OC1=O)[Br])=N/Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8225 |
| logD: | 4.7571 |
| logSw: | -4.8261 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.349 |
| InChI Key: | SQLPSYBWVCHJQC-UHFFFAOYSA-N |