4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Chemical Structure Depiction of
4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
Compound characteristics
| Compound ID: | Y501-6267 |
| Compound Name: | 4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid |
| Molecular Weight: | 326.1 |
| Molecular Formula: | C11 H8 Br N3 O4 |
| Smiles: | C(c1ccc(cc1)C(O)=O)n1cc(c(n1)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.2741 |
| logD: | -0.6974 |
| logSw: | -2.4449 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.243 |
| InChI Key: | VGWJEMWTFJJPLX-UHFFFAOYSA-N |