2-[4-(2,3-dimethylphenoxy)phenyl]-4-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(2,3-dimethylphenoxy)phenyl]-4-nitro-1H-isoindole-1,3(2H)-dione
2-[4-(2,3-dimethylphenoxy)phenyl]-4-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 1021-0117 |
| Compound Name: | 2-[4-(2,3-dimethylphenoxy)phenyl]-4-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 388.38 |
| Molecular Formula: | C22 H16 N2 O5 |
| Smiles: | Cc1cccc(c1C)Oc1ccc(cc1)N1C(c2cccc(c2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9511 |
| logD: | 3.9511 |
| logSw: | -4.3271 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.795 |
| InChI Key: | CEILCNOPUOGYTE-UHFFFAOYSA-N |