1-[(4-chlorophenoxy)methyl]-3,5-dimethyl-4-nitro-1H-pyrazole
Chemical Structure Depiction of
1-[(4-chlorophenoxy)methyl]-3,5-dimethyl-4-nitro-1H-pyrazole
1-[(4-chlorophenoxy)methyl]-3,5-dimethyl-4-nitro-1H-pyrazole
Compound characteristics
| Compound ID: | Y503-3198 |
| Compound Name: | 1-[(4-chlorophenoxy)methyl]-3,5-dimethyl-4-nitro-1H-pyrazole |
| Molecular Weight: | 281.7 |
| Molecular Formula: | C12 H12 Cl N3 O3 |
| Smiles: | Cc1c(c(C)n(COc2ccc(cc2)[Cl])n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9336 |
| logD: | 2.9336 |
| logSw: | -3.4579 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.275 |
| InChI Key: | NCOMEIDQUQYWBQ-UHFFFAOYSA-N |