6-bromo-2-(3,4-diethoxyphenyl)-3-nitro-2H-1-benzopyran
Chemical Structure Depiction of
6-bromo-2-(3,4-diethoxyphenyl)-3-nitro-2H-1-benzopyran
6-bromo-2-(3,4-diethoxyphenyl)-3-nitro-2H-1-benzopyran
Compound characteristics
| Compound ID: | 8012-4258 |
| Compound Name: | 6-bromo-2-(3,4-diethoxyphenyl)-3-nitro-2H-1-benzopyran |
| Molecular Weight: | 420.26 |
| Molecular Formula: | C19 H18 Br N O5 |
| Smiles: | CCOc1ccc(cc1OCC)C1C(=Cc2cc(ccc2O1)[Br])[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8001 |
| logD: | 4.8001 |
| logSw: | -4.6551 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.099 |
| InChI Key: | MLTNUTWAVASJRD-LJQANCHMSA-N |