3-formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
3-formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
3-formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y509-3609 |
| Compound Name: | 3-formylphenyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 309.12 |
| Molecular Formula: | C12 H9 Br N2 O3 |
| Smiles: | Cn1cc(c(C(=O)Oc2cccc(C=O)c2)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.5845 |
| logD: | 1.5845 |
| logSw: | -1.7851 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.131 |
| InChI Key: | HPKFVZROUIBLEN-UHFFFAOYSA-N |