5-methyl-2-(propan-2-yl)cyclohexyl 4-chloro-3-nitrobenzoate
Chemical Structure Depiction of
5-methyl-2-(propan-2-yl)cyclohexyl 4-chloro-3-nitrobenzoate
5-methyl-2-(propan-2-yl)cyclohexyl 4-chloro-3-nitrobenzoate
Compound characteristics
| Compound ID: | 0368-0006 |
| Compound Name: | 5-methyl-2-(propan-2-yl)cyclohexyl 4-chloro-3-nitrobenzoate |
| Molecular Weight: | 339.82 |
| Molecular Formula: | C17 H22 Cl N O4 |
| Smiles: | CC1CCC(C(C)C)C(C1)OC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7567 |
| logD: | 5.7567 |
| logSw: | -6.0229 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.346 |
| InChI Key: | QJJWEQVYFXSALB-UHFFFAOYSA-N |