5-methyl-1,3-phenylene bis(4-methyl-3-nitrobenzoate)
Chemical Structure Depiction of
5-methyl-1,3-phenylene bis(4-methyl-3-nitrobenzoate)
5-methyl-1,3-phenylene bis(4-methyl-3-nitrobenzoate)
Compound characteristics
Compound ID: | 8002-5873 |
Compound Name: | 5-methyl-1,3-phenylene bis(4-methyl-3-nitrobenzoate) |
Molecular Weight: | 450.4 |
Molecular Formula: | C23 H18 N2 O8 |
Smiles: | Cc1cc(cc(c1)OC(c1ccc(C)c(c1)[N+]([O-])=O)=O)OC(c1ccc(C)c(c1)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 5.1032 |
logD: | 5.1032 |
logSw: | -5.073 |
Hydrogen bond acceptors count: | 14 |
Polar surface area: | 107.155 |
InChI Key: | KDIPOYGWLCHIHN-UHFFFAOYSA-N |