3,5-dinitro-4-[3-(trifluoromethyl)anilino]benzoic acid
Chemical Structure Depiction of
3,5-dinitro-4-[3-(trifluoromethyl)anilino]benzoic acid
3,5-dinitro-4-[3-(trifluoromethyl)anilino]benzoic acid
Compound characteristics
Compound ID: | K781-1394 |
Compound Name: | 3,5-dinitro-4-[3-(trifluoromethyl)anilino]benzoic acid |
Molecular Weight: | 371.23 |
Molecular Formula: | C14 H8 F3 N3 O6 |
Smiles: | c1cc(cc(c1)Nc1c(cc(cc1[N+]([O-])=O)C(O)=O)[N+]([O-])=O)C(F)(F)F |
Stereo: | ACHIRAL |
logP: | 4.1138 |
logD: | 0.8691 |
logSw: | -4.4657 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 102.325 |
InChI Key: | YYKJBUAKRHTPGZ-UHFFFAOYSA-N |