4-{[(2-bromo-3-nitrobenzoyl)oxy]imino}-3-methylcyclohexa-2,5-dien-1-one
Chemical Structure Depiction of
4-{[(2-bromo-3-nitrobenzoyl)oxy]imino}-3-methylcyclohexa-2,5-dien-1-one
4-{[(2-bromo-3-nitrobenzoyl)oxy]imino}-3-methylcyclohexa-2,5-dien-1-one
Compound characteristics
| Compound ID: | 2548-0069 |
| Compound Name: | 4-{[(2-bromo-3-nitrobenzoyl)oxy]imino}-3-methylcyclohexa-2,5-dien-1-one |
| Molecular Weight: | 365.14 |
| Molecular Formula: | C14 H9 Br N2 O5 |
| Smiles: | CC1=CC(C=C\C1=N/OC(c1cccc(c1[Br])[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9554 |
| logD: | 2.9554 |
| logSw: | -3.6253 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.184 |
| InChI Key: | VUDMWRVCAROBHS-UHFFFAOYSA-N |