1-[(2,6-dichlorophenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylic acid
Chemical Structure Depiction of
1-[(2,6-dichlorophenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylic acid
1-[(2,6-dichlorophenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylic acid
Compound characteristics
| Compound ID: | Y507-1317 |
| Compound Name: | 1-[(2,6-dichlorophenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylic acid |
| Molecular Weight: | 316.1 |
| Molecular Formula: | C11 H7 Cl2 N3 O4 |
| Smiles: | C(c1c(cccc1[Cl])[Cl])n1c(cc(n1)[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3359 |
| logD: | -2.3749 |
| logSw: | -2.7751 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.45 |
| InChI Key: | OMLKYHYGGGAPKV-UHFFFAOYSA-N |