methyl 1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrazole-3-carboxylate
methyl 1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8016-9292 |
| Compound Name: | methyl 1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 339.14 |
| Molecular Formula: | C13 H11 Br N2 O4 |
| Smiles: | COC(c1ccn(Cc2cc3c(cc2[Br])OCO3)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2827 |
| logD: | 2.2827 |
| logSw: | -2.75 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.916 |
| InChI Key: | MDGLDUZICRAXNB-UHFFFAOYSA-N |