2-(1,3-benzoxazol-2-yl)-4-nitrophenyl 2-(trifluoromethoxy)benzene-1-sulfonate
Chemical Structure Depiction of
2-(1,3-benzoxazol-2-yl)-4-nitrophenyl 2-(trifluoromethoxy)benzene-1-sulfonate
2-(1,3-benzoxazol-2-yl)-4-nitrophenyl 2-(trifluoromethoxy)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V004-4931 |
| Compound Name: | 2-(1,3-benzoxazol-2-yl)-4-nitrophenyl 2-(trifluoromethoxy)benzene-1-sulfonate |
| Molecular Weight: | 480.37 |
| Molecular Formula: | C20 H11 F3 N2 O7 S |
| Smiles: | c1ccc(c(c1)OC(F)(F)F)S(=O)(=O)Oc1ccc(cc1c1nc2ccccc2o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.406 |
| logD: | 5.406 |
| logSw: | -5.9196 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.302 |
| InChI Key: | ARJPINQFSDYKAI-UHFFFAOYSA-N |