1-(4-tert-butyl-2,6-dimethyl-3-nitrophenyl)ethan-1-one
Chemical Structure Depiction of
1-(4-tert-butyl-2,6-dimethyl-3-nitrophenyl)ethan-1-one
1-(4-tert-butyl-2,6-dimethyl-3-nitrophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 0493-0647 |
| Compound Name: | 1-(4-tert-butyl-2,6-dimethyl-3-nitrophenyl)ethan-1-one |
| Molecular Weight: | 249.31 |
| Molecular Formula: | C14 H19 N O3 |
| Smiles: | CC(c1c(C)cc(c(c1C)[N+]([O-])=O)C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0945 |
| logD: | 4.0945 |
| logSw: | -4.5334 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.845 |
| InChI Key: | FRKVAMSMDWIZHD-UHFFFAOYSA-N |