5-[(2-bromo-4-methylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-[(2-bromo-4-methylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
5-[(2-bromo-4-methylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | 4260-0888 |
| Compound Name: | 5-[(2-bromo-4-methylphenoxy)methyl]-3-(3-nitrophenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 390.19 |
| Molecular Formula: | C16 H12 Br N3 O4 |
| Smiles: | Cc1ccc(c(c1)[Br])OCc1nc(c2cccc(c2)[N+]([O-])=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.9708 |
| logD: | 4.9708 |
| logSw: | -4.8591 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.277 |
| InChI Key: | YIBBXQABSWPEMH-UHFFFAOYSA-N |