4-{[(2-bromo-3-nitrobenzoyl)oxy]imino}cyclohexa-2,5-dien-1-one
Chemical Structure Depiction of
4-{[(2-bromo-3-nitrobenzoyl)oxy]imino}cyclohexa-2,5-dien-1-one
4-{[(2-bromo-3-nitrobenzoyl)oxy]imino}cyclohexa-2,5-dien-1-one
Compound characteristics
| Compound ID: | 2548-0035 |
| Compound Name: | 4-{[(2-bromo-3-nitrobenzoyl)oxy]imino}cyclohexa-2,5-dien-1-one |
| Molecular Weight: | 351.11 |
| Molecular Formula: | C13 H7 Br N2 O5 |
| Smiles: | C1=CC(C=CC1=NOC(c1cccc(c1[Br])[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5662 |
| logD: | 2.5662 |
| logSw: | -2.927 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.919 |
| InChI Key: | ILVLHUADGOVANK-UHFFFAOYSA-N |