3,3'-dimethyl[1,1'-biphenyl]-4-yl 2,4-dinitrobenzoate
Chemical Structure Depiction of
3,3'-dimethyl[1,1'-biphenyl]-4-yl 2,4-dinitrobenzoate
3,3'-dimethyl[1,1'-biphenyl]-4-yl 2,4-dinitrobenzoate
Compound characteristics
| Compound ID: | 0711-0183 |
| Compound Name: | 3,3'-dimethyl[1,1'-biphenyl]-4-yl 2,4-dinitrobenzoate |
| Molecular Weight: | 392.37 |
| Molecular Formula: | C21 H16 N2 O6 |
| Smiles: | Cc1cccc(c1)c1ccc(c(C)c1)OC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6579 |
| logD: | 5.6579 |
| logSw: | -5.5668 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.893 |
| InChI Key: | GYACGOYDUSSHLW-UHFFFAOYSA-N |