8-bromo-1,3-dinitrodibenzo[b,f]oxepine
Chemical Structure Depiction of
8-bromo-1,3-dinitrodibenzo[b,f]oxepine
8-bromo-1,3-dinitrodibenzo[b,f]oxepine
Compound characteristics
Compound ID: | 8009-3817 |
Compound Name: | 8-bromo-1,3-dinitrodibenzo[b,f]oxepine |
Molecular Weight: | 363.12 |
Molecular Formula: | C14 H7 Br N2 O5 |
Smiles: | C1=Cc2c(cc(cc2Oc2ccc(cc12)[Br])[N+]([O-])=O)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 4.4852 |
logD: | 4.4852 |
logSw: | -4.7038 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 73.845 |
InChI Key: | SPIKSTZHFKBBBU-UHFFFAOYSA-N |