3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
Chemical Structure Depiction of
3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
Compound characteristics
| Compound ID: | Y509-3610 |
| Compound Name: | 3-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde |
| Molecular Weight: | 354.16 |
| Molecular Formula: | C13 H12 Br N3 O4 |
| Smiles: | Cc1c(c(nn1Cc1cc(C=O)ccc1OC)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.1839 |
| logD: | 2.1839 |
| logSw: | -2.4658 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.048 |
| InChI Key: | HLUMMWOBUTUHOW-UHFFFAOYSA-N |