3-(2,2-dicyanoethenyl)phenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
3-(2,2-dicyanoethenyl)phenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
3-(2,2-dicyanoethenyl)phenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8009-0821 |
| Compound Name: | 3-(2,2-dicyanoethenyl)phenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 357.16 |
| Molecular Formula: | C15 H9 Br N4 O2 |
| Smiles: | Cn1cc(c(C(=O)Oc2cccc(C=C(C#N)C#N)c2)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.1644 |
| logD: | 2.1644 |
| logSw: | -2.6131 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 70.084 |
| InChI Key: | CYEANCUQFKIJKT-UHFFFAOYSA-N |