1-[(3-chlorophenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylic acid
Chemical Structure Depiction of
1-[(3-chlorophenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylic acid
1-[(3-chlorophenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylic acid
Compound characteristics
| Compound ID: | Y507-1303 |
| Compound Name: | 1-[(3-chlorophenyl)methyl]-3-nitro-1H-pyrazole-5-carboxylic acid |
| Molecular Weight: | 281.65 |
| Molecular Formula: | C11 H8 Cl N3 O4 |
| Smiles: | C(c1cccc(c1)[Cl])n1c(cc(n1)[N+]([O-])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7622 |
| logD: | -2.9486 |
| logSw: | -2.3597 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.45 |
| InChI Key: | RZQVCOOEEMGVPC-UHFFFAOYSA-N |