2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(4-iodo-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(4-iodo-1H-pyrazol-1-yl)ethan-1-one
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(4-iodo-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8017-3713 |
| Compound Name: | 2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-1-(4-iodo-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 439.99 |
| Molecular Formula: | C9 H7 Br I N5 O3 |
| Smiles: | Cc1c(c(nn1CC(n1cc(cn1)I)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.2608 |
| logD: | 1.2608 |
| logSw: | -1.426 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.555 |
| InChI Key: | VMWMTFSYOZMNMB-UHFFFAOYSA-N |