1,1'-(4-bromo-3,4-dichloro-2-nitrobuta-1,3-diene-1,1-diyl)bis(3,5-dimethyl-1H-pyrazole)
Chemical Structure Depiction of
1,1'-(4-bromo-3,4-dichloro-2-nitrobuta-1,3-diene-1,1-diyl)bis(3,5-dimethyl-1H-pyrazole)
1,1'-(4-bromo-3,4-dichloro-2-nitrobuta-1,3-diene-1,1-diyl)bis(3,5-dimethyl-1H-pyrazole)
Compound characteristics
| Compound ID: | 0819-0641 |
| Compound Name: | 1,1'-(4-bromo-3,4-dichloro-2-nitrobuta-1,3-diene-1,1-diyl)bis(3,5-dimethyl-1H-pyrazole) |
| Molecular Weight: | 435.1 |
| Molecular Formula: | C14 H14 Br Cl2 N5 O2 |
| Smiles: | Cc1cc(C)n(C(=C(/C(=C(/[Cl])[Br])[Cl])[N+]([O-])=O)n2c(C)cc(C)n2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.1754 |
| logD: | 3.1754 |
| logSw: | -3.2892 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.792 |
| InChI Key: | IFNHSMWUIWBLCL-UHFFFAOYSA-N |