3-bromo-4-(4H-1,2,4-triazol-4-yl)benzoic acid
Chemical Structure Depiction of
3-bromo-4-(4H-1,2,4-triazol-4-yl)benzoic acid
3-bromo-4-(4H-1,2,4-triazol-4-yl)benzoic acid
Compound characteristics
| Compound ID: | 8020-5032 |
| Compound Name: | 3-bromo-4-(4H-1,2,4-triazol-4-yl)benzoic acid |
| Molecular Weight: | 268.07 |
| Molecular Formula: | C9 H6 Br N3 O2 |
| Smiles: | c1cc(c(cc1C(O)=O)[Br])n1cnnc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7931 |
| logD: | -1.2192 |
| logSw: | -2.0419 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.377 |
| InChI Key: | CCNSGQLKXFBZKO-UHFFFAOYSA-N |