4-(2,2-dicyanoethenyl)phenyl 4-iodo-1-methyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
4-(2,2-dicyanoethenyl)phenyl 4-iodo-1-methyl-1H-pyrazole-3-carboxylate
4-(2,2-dicyanoethenyl)phenyl 4-iodo-1-methyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8008-7172 |
| Compound Name: | 4-(2,2-dicyanoethenyl)phenyl 4-iodo-1-methyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 404.16 |
| Molecular Formula: | C15 H9 I N4 O2 |
| Smiles: | Cn1cc(c(C(=O)Oc2ccc(C=C(C#N)C#N)cc2)n1)I |
| Stereo: | ACHIRAL |
| logP: | 2.4497 |
| logD: | 2.4497 |
| logSw: | -2.6572 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 70.084 |
| InChI Key: | KQOXPXXALXKFLQ-UHFFFAOYSA-N |