1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazole
Chemical Structure Depiction of
1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazole
1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazole
Compound characteristics
| Compound ID: | 8017-4598 |
| Compound Name: | 1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-3,5-dimethyl-1H-pyrazole |
| Molecular Weight: | 309.16 |
| Molecular Formula: | C13 H13 Br N2 O2 |
| Smiles: | Cc1cc(C)n(Cc2cc3c(cc2[Br])OCO3)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.644 |
| logD: | 2.644 |
| logSw: | -2.6128 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 31.0893 |
| InChI Key: | NRJJWBQCNSDFHT-UHFFFAOYSA-N |