1-(3-bromophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(3-bromophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid
1-(3-bromophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
Compound ID: | T640-1044 |
Compound Name: | 1-(3-bromophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylic acid |
Molecular Weight: | 336.06 |
Molecular Formula: | C10 H5 Br F3 N3 O2 |
Smiles: | c1cc(cc(c1)[Br])n1c(c(C(O)=O)nn1)C(F)(F)F |
Stereo: | ACHIRAL |
logP: | 2.2464 |
logD: | -4.4465 |
logSw: | -2.2634 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 54.519 |
InChI Key: | PQOKYLFKYFWJLZ-UHFFFAOYSA-N |