6-bromo-2-(3,4-dimethoxyphenyl)-8-methoxy-3-nitro-2H-1-benzopyran
Chemical Structure Depiction of
6-bromo-2-(3,4-dimethoxyphenyl)-8-methoxy-3-nitro-2H-1-benzopyran
6-bromo-2-(3,4-dimethoxyphenyl)-8-methoxy-3-nitro-2H-1-benzopyran
Compound characteristics
| Compound ID: | 8012-4350 |
| Compound Name: | 6-bromo-2-(3,4-dimethoxyphenyl)-8-methoxy-3-nitro-2H-1-benzopyran |
| Molecular Weight: | 422.23 |
| Molecular Formula: | C18 H16 Br N O6 |
| Smiles: | COc1ccc(cc1OC)C1C(=Cc2cc(cc(c2O1)OC)[Br])[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3309 |
| logD: | 4.3309 |
| logSw: | -4.5775 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.254 |
| InChI Key: | JJSBAOFROBZWIG-QGZVFWFLSA-N |