5-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]thiophene-2-carboxylic acid
Chemical Structure Depiction of
5-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]thiophene-2-carboxylic acid
5-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]thiophene-2-carboxylic acid
Compound characteristics
| Compound ID: | Y507-0648 |
| Compound Name: | 5-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]thiophene-2-carboxylic acid |
| Molecular Weight: | 287.68 |
| Molecular Formula: | C9 H6 Cl N3 O4 S |
| Smiles: | C(c1ccc(C(O)=O)s1)n1cc(c(n1)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.7406 |
| logD: | -2.0275 |
| logSw: | -2.5884 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.261 |
| InChI Key: | BFUQVYIBWVVSIJ-UHFFFAOYSA-N |