4-[5-(trifluoromethyl)pyrimidin-2-yl]benzoic acid

Systemtic Name: 4-[5-(trifluoromethyl)pyrimidin-2-yl]benzoic acid Openeye Name: 4-[5-(trifluoromethyl)pyrimidin-2-yl]benzoic acid CAS Name: 4-[5-(trifluoromethyl)-2-pyrimidinyl]benzoic acid IUPAC Name: 4-[5-(trifluoromethyl)pyrimidin-2-yl]benzoic acid Traditional Name: 4-[5-(trifluoromethyl)pyrimidin-2-yl]benzoic acid Formula: C12H7F3N2O2 MolecularWeight: 268.19139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC=C(C=N2)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC=C(C=N2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H7F3N2O2/c13-12(14,15)9-5-16-10(17-6-9)7-1-3-8(4-2-7)11(18)19/h1-6H,(H,18,19)