4-{[(2,4-dinitrobenzoyl)oxy]imino}-3,5-dimethylcyclohexa-2,5-dien-1-one
Chemical Structure Depiction of
4-{[(2,4-dinitrobenzoyl)oxy]imino}-3,5-dimethylcyclohexa-2,5-dien-1-one
4-{[(2,4-dinitrobenzoyl)oxy]imino}-3,5-dimethylcyclohexa-2,5-dien-1-one
Compound characteristics
| Compound ID: | 2548-0210 |
| Compound Name: | 4-{[(2,4-dinitrobenzoyl)oxy]imino}-3,5-dimethylcyclohexa-2,5-dien-1-one |
| Molecular Weight: | 345.27 |
| Molecular Formula: | C15 H11 N3 O7 |
| Smiles: | CC1=CC(C=C(C)C1=NOC(c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1171 |
| logD: | 2.1171 |
| logSw: | -2.931 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 110.83 |
| InChI Key: | GPCJSZWXLYSVRJ-UHFFFAOYSA-N |