2-chloro-3-methyl-4-{[(4-nitrobenzoyl)oxy]imino}-6-(propan-2-yl)cyclohexa-2,5-dien-1-one
Chemical Structure Depiction of
2-chloro-3-methyl-4-{[(4-nitrobenzoyl)oxy]imino}-6-(propan-2-yl)cyclohexa-2,5-dien-1-one
2-chloro-3-methyl-4-{[(4-nitrobenzoyl)oxy]imino}-6-(propan-2-yl)cyclohexa-2,5-dien-1-one
Compound characteristics
| Compound ID: | 2548-0693 |
| Compound Name: | 2-chloro-3-methyl-4-{[(4-nitrobenzoyl)oxy]imino}-6-(propan-2-yl)cyclohexa-2,5-dien-1-one |
| Molecular Weight: | 362.77 |
| Molecular Formula: | C17 H15 Cl N2 O5 |
| Smiles: | CC(C)C1=C/C(C(C)=C(C1=O)[Cl])=N/OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4738 |
| logD: | 4.4738 |
| logSw: | -4.6019 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.282 |
| InChI Key: | DXUGHTACHPLHAG-UHFFFAOYSA-N |