1-oxo-1-[(propan-2-yl)oxy]propan-2-yl 4-chloro-3-nitrobenzoate
Chemical Structure Depiction of
1-oxo-1-[(propan-2-yl)oxy]propan-2-yl 4-chloro-3-nitrobenzoate
1-oxo-1-[(propan-2-yl)oxy]propan-2-yl 4-chloro-3-nitrobenzoate
Compound characteristics
| Compound ID: | 0368-0044 |
| Compound Name: | 1-oxo-1-[(propan-2-yl)oxy]propan-2-yl 4-chloro-3-nitrobenzoate |
| Molecular Weight: | 315.71 |
| Molecular Formula: | C13 H14 Cl N O6 |
| Smiles: | CC(C)OC(C(C)OC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9343 |
| logD: | 2.9343 |
| logSw: | -3.5649 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.171 |
| InChI Key: | QONJNCZKTSEMJV-QMMMGPOBSA-N |