6-bromo-2-(4-ethoxy-3-methoxyphenyl)-3-nitro-2H-1-benzopyran
Chemical Structure Depiction of
6-bromo-2-(4-ethoxy-3-methoxyphenyl)-3-nitro-2H-1-benzopyran
6-bromo-2-(4-ethoxy-3-methoxyphenyl)-3-nitro-2H-1-benzopyran
Compound characteristics
| Compound ID: | 8012-5152 |
| Compound Name: | 6-bromo-2-(4-ethoxy-3-methoxyphenyl)-3-nitro-2H-1-benzopyran |
| Molecular Weight: | 406.23 |
| Molecular Formula: | C18 H16 Br N O5 |
| Smiles: | CCOc1ccc(cc1OC)C1C(=Cc2cc(ccc2O1)[Br])[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6544 |
| logD: | 4.6544 |
| logSw: | -4.5228 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.519 |
| InChI Key: | BTRSBKSFEIYBQY-GOSISDBHSA-N |