4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl 4-nitrobenzoate
Chemical Structure Depiction of
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl 4-nitrobenzoate
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 8015-3518 |
| Compound Name: | 4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,6-dimethylphenyl 4-nitrobenzoate |
| Molecular Weight: | 437.29 |
| Molecular Formula: | C18 H13 F6 N O5 |
| Smiles: | Cc1cc(cc(C)c1OC(c1ccc(cc1)[N+]([O-])=O)=O)C(C(F)(F)F)(C(F)(F)F)O |
| Stereo: | ACHIRAL |
| logP: | 5.2229 |
| logD: | 5.154 |
| logSw: | -5.0375 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.239 |
| InChI Key: | LKJJZJBAJGCRGZ-UHFFFAOYSA-N |