6-bromo-2-(3,4-dimethoxyphenyl)-3-nitro-2H-1-benzopyran
Chemical Structure Depiction of
6-bromo-2-(3,4-dimethoxyphenyl)-3-nitro-2H-1-benzopyran
6-bromo-2-(3,4-dimethoxyphenyl)-3-nitro-2H-1-benzopyran
Compound characteristics
| Compound ID: | 8012-4755 |
| Compound Name: | 6-bromo-2-(3,4-dimethoxyphenyl)-3-nitro-2H-1-benzopyran |
| Molecular Weight: | 392.2 |
| Molecular Formula: | C17 H14 Br N O5 |
| Smiles: | COc1ccc(cc1OC)C1C(=Cc2cc(ccc2O1)[Br])[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3088 |
| logD: | 4.3088 |
| logSw: | -4.5643 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.94 |
| InChI Key: | GJKMNKFTBQPVQP-QGZVFWFLSA-N |