2-({[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol
Chemical Structure Depiction of
2-({[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol
2-({[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol
Compound characteristics
| Compound ID: | 8001-1791 |
| Compound Name: | 2-({[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-6-nitrophenol |
| Molecular Weight: | 438.24 |
| Molecular Formula: | C20 H12 Br N3 O4 |
| Smiles: | C(\c1cccc(c1O)[N+]([O-])=O)=N/c1ccc2c(c1)nc(c1cccc(c1)[Br])o2 |
| Stereo: | ACHIRAL |
| logP: | 5.533 |
| logD: | 3.6531 |
| logSw: | -5.8252 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.736 |
| InChI Key: | FXTAIFMULBXMJU-UHFFFAOYSA-N |