2,8-dibromo-3,7-dinitro-5H-5lambda~6~-dibenzo[b,d]thiophene-5,5-dione
Chemical Structure Depiction of
2,8-dibromo-3,7-dinitro-5H-5lambda~6~-dibenzo[b,d]thiophene-5,5-dione
2,8-dibromo-3,7-dinitro-5H-5lambda~6~-dibenzo[b,d]thiophene-5,5-dione
Compound characteristics
| Compound ID: | 0382-0062 |
| Compound Name: | 2,8-dibromo-3,7-dinitro-5H-5lambda~6~-dibenzo[b,d]thiophene-5,5-dione |
| Molecular Weight: | 464.04 |
| Molecular Formula: | C12 H4 Br2 N2 O6 S |
| Smiles: | c1c(c(cc2c3cc(c(cc3S(c12)(=O)=O)[N+]([O-])=O)[Br])[Br])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0293 |
| logD: | 4.0293 |
| logSw: | -4.3957 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.395 |
| InChI Key: | OIJZZIYHKYBRHO-UHFFFAOYSA-N |