2-bromo-4-{[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-6-methoxyphenyl acetate
Chemical Structure Depiction of
2-bromo-4-{[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-6-methoxyphenyl acetate
2-bromo-4-{[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-6-methoxyphenyl acetate
Compound characteristics
| Compound ID: | 2047-9651 |
| Compound Name: | 2-bromo-4-{[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}-6-methoxyphenyl acetate |
| Molecular Weight: | 495.67 |
| Molecular Formula: | C19 H12 Br Cl N2 O7 |
| Smiles: | CC(=O)Oc1c(cc(/C=C2/C(=O)OC(c3ccc(c(c3)[N+]([O-])=O)[Cl])=N2)cc1[Br])OC |
| Stereo: | ACHIRAL |
| logP: | 3.6334 |
| logD: | 3.6334 |
| logSw: | -4.4041 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.011 |
| InChI Key: | OTKBQDVPHDISOA-UHFFFAOYSA-N |