2-(2H-1,3-benzodioxol-5-yl)-6-bromo-8-methoxy-3-nitro-2H-1-benzopyran
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-6-bromo-8-methoxy-3-nitro-2H-1-benzopyran
2-(2H-1,3-benzodioxol-5-yl)-6-bromo-8-methoxy-3-nitro-2H-1-benzopyran
Compound characteristics
| Compound ID: | 8012-4529 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-6-bromo-8-methoxy-3-nitro-2H-1-benzopyran |
| Molecular Weight: | 406.19 |
| Molecular Formula: | C17 H12 Br N O6 |
| Smiles: | COc1cc(cc2C=C(C(c3ccc4c(c3)OCO4)Oc12)[N+]([O-])=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6291 |
| logD: | 4.6291 |
| logSw: | -4.5925 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.109 |
| InChI Key: | FFBIMURSPRZQKM-MRXNPFEDSA-N |