[1,1'-biphenyl]-4,4'-diyl bis(3-methyl-4-nitrobenzoate)
Chemical Structure Depiction of
[1,1'-biphenyl]-4,4'-diyl bis(3-methyl-4-nitrobenzoate)
[1,1'-biphenyl]-4,4'-diyl bis(3-methyl-4-nitrobenzoate)
Compound characteristics
| Compound ID: | 2202-0873 |
| Compound Name: | [1,1'-biphenyl]-4,4'-diyl bis(3-methyl-4-nitrobenzoate) |
| Molecular Weight: | 512.48 |
| Molecular Formula: | C28 H20 N2 O8 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(=O)Oc1ccc(cc1)c1ccc(cc1)OC(c1ccc(c(C)c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8086 |
| logD: | 6.8086 |
| logSw: | -5.7103 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 106.884 |
| InChI Key: | FCGKXYRCPLMHDP-UHFFFAOYSA-N |