2-(3-chloro-2-methylphenyl)-5-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(3-chloro-2-methylphenyl)-5-nitro-1H-isoindole-1,3(2H)-dione
2-(3-chloro-2-methylphenyl)-5-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y500-0516 |
| Compound Name: | 2-(3-chloro-2-methylphenyl)-5-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 316.7 |
| Molecular Formula: | C15 H9 Cl N2 O4 |
| Smiles: | Cc1c(cccc1[Cl])N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7926 |
| logD: | 3.7926 |
| logSw: | -4.2007 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.96 |
| InChI Key: | JTIOHXABRYSCMT-UHFFFAOYSA-N |