2-[4-(4-chlorophenoxy)phenyl]-4-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(4-chlorophenoxy)phenyl]-4-nitro-1H-isoindole-1,3(2H)-dione
2-[4-(4-chlorophenoxy)phenyl]-4-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 0466-0241 |
| Compound Name: | 2-[4-(4-chlorophenoxy)phenyl]-4-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 394.77 |
| Molecular Formula: | C20 H11 Cl N2 O5 |
| Smiles: | c1cc2C(N(C(c2c(c1)[N+]([O-])=O)=O)c1ccc(cc1)Oc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9392 |
| logD: | 3.9392 |
| logSw: | -4.914 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.708 |
| InChI Key: | XMFZDCARMVTANF-UHFFFAOYSA-N |