2-methylpropyl 4-chloro-3,5-dinitrobenzoate
Chemical Structure Depiction of
2-methylpropyl 4-chloro-3,5-dinitrobenzoate
2-methylpropyl 4-chloro-3,5-dinitrobenzoate
Compound characteristics
| Compound ID: | 0108-0025 |
| Compound Name: | 2-methylpropyl 4-chloro-3,5-dinitrobenzoate |
| Molecular Weight: | 302.67 |
| Molecular Formula: | C11 H11 Cl N2 O6 |
| Smiles: | CC(C)COC(c1cc(c(c(c1)[N+]([O-])=O)[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2992 |
| logD: | 3.2992 |
| logSw: | -4.0566 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.529 |
| InChI Key: | MHWMKXCBVGGVSX-UHFFFAOYSA-N |