2-({[3-(1,3-benzoxazol-2-yl)phenyl]imino}methyl)-4-chloro-6-nitrophenol
Chemical Structure Depiction of
2-({[3-(1,3-benzoxazol-2-yl)phenyl]imino}methyl)-4-chloro-6-nitrophenol
2-({[3-(1,3-benzoxazol-2-yl)phenyl]imino}methyl)-4-chloro-6-nitrophenol
Compound characteristics
| Compound ID: | 8002-1333 |
| Compound Name: | 2-({[3-(1,3-benzoxazol-2-yl)phenyl]imino}methyl)-4-chloro-6-nitrophenol |
| Molecular Weight: | 393.78 |
| Molecular Formula: | C20 H12 Cl N3 O4 |
| Smiles: | C(\c1cc(cc(c1O)[N+]([O-])=O)[Cl])=N/c1cccc(c1)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 5.4614 |
| logD: | 3.2382 |
| logSw: | -5.7857 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.736 |
| InChI Key: | UCWMQHYTKFLKBF-UHFFFAOYSA-N |