9-bromo-1-methyl-4-nitro-1H-benzo[b]furo[4,3,2-ef][1]benzoxepine
Chemical Structure Depiction of
9-bromo-1-methyl-4-nitro-1H-benzo[b]furo[4,3,2-ef][1]benzoxepine
9-bromo-1-methyl-4-nitro-1H-benzo[b]furo[4,3,2-ef][1]benzoxepine
Compound characteristics
| Compound ID: | 8018-0691 |
| Compound Name: | 9-bromo-1-methyl-4-nitro-1H-benzo[b]furo[4,3,2-ef][1]benzoxepine |
| Molecular Weight: | 360.16 |
| Molecular Formula: | C16 H10 Br N O4 |
| Smiles: | CC1C2=Cc3cc(ccc3Oc3cc(cc(c23)O1)[N+]([O-])=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9301 |
| logD: | 4.9301 |
| logSw: | -4.9751 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.782 |
| InChI Key: | YLGMNLNIVPDRAX-QMMMGPOBSA-N |