2-chloro-1,4-phenylene bis(4-methyl-3-nitrobenzoate)
Chemical Structure Depiction of
2-chloro-1,4-phenylene bis(4-methyl-3-nitrobenzoate)
2-chloro-1,4-phenylene bis(4-methyl-3-nitrobenzoate)
Compound characteristics
| Compound ID: | 8006-6145 |
| Compound Name: | 2-chloro-1,4-phenylene bis(4-methyl-3-nitrobenzoate) |
| Molecular Weight: | 470.82 |
| Molecular Formula: | C22 H15 Cl N2 O8 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(=O)Oc1ccc(c(c1)[Cl])OC(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.238 |
| logD: | 5.238 |
| logSw: | -5.8758 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 107.242 |
| InChI Key: | ZYKOZYCECQMLOG-UHFFFAOYSA-N |