6,8-dibromo-2-(4-ethoxy-3-methoxyphenyl)-3-nitro-2H-1-benzopyran
Chemical Structure Depiction of
6,8-dibromo-2-(4-ethoxy-3-methoxyphenyl)-3-nitro-2H-1-benzopyran
6,8-dibromo-2-(4-ethoxy-3-methoxyphenyl)-3-nitro-2H-1-benzopyran
Compound characteristics
| Compound ID: | 8012-7920 |
| Compound Name: | 6,8-dibromo-2-(4-ethoxy-3-methoxyphenyl)-3-nitro-2H-1-benzopyran |
| Molecular Weight: | 485.13 |
| Molecular Formula: | C18 H15 Br2 N O5 |
| Smiles: | CCOc1ccc(cc1OC)C1C(=Cc2cc(cc(c2O1)[Br])[Br])[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5132 |
| logD: | 5.5132 |
| logSw: | -5.582 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.204 |
| InChI Key: | ZMKLYBASIXPGGQ-SFHVURJKSA-N |