5-(2,4-dinitrophenoxy)-2-(4-methylphenyl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
5-(2,4-dinitrophenoxy)-2-(4-methylphenyl)-1H-isoindole-1,3(2H)-dione
5-(2,4-dinitrophenoxy)-2-(4-methylphenyl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
Compound ID: | 1021-0739 |
Compound Name: | 5-(2,4-dinitrophenoxy)-2-(4-methylphenyl)-1H-isoindole-1,3(2H)-dione |
Molecular Weight: | 419.35 |
Molecular Formula: | C21 H13 N3 O7 |
Smiles: | Cc1ccc(cc1)N1C(c2ccc(cc2C1=O)Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.2966 |
logD: | 4.2966 |
logSw: | -4.5181 |
Hydrogen bond acceptors count: | 13 |
Polar surface area: | 102.176 |
InChI Key: | SIYOCCLKGHICOK-UHFFFAOYSA-N |