2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

Systemtic Name: 2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid Openeye Name: 2-(3-chloro-4-fluoro-anilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid CAS Name: 2-(3-chloro-4-fluoroanilino)-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-(3-chloro-4-fluoroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid Traditional Name: 2-(3-chloro-4-fluoro-anilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid Formula: C12H6ClF4N3O2 MolecularWeight: 335.641553

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC=C(C(=N2)C(F)(F)F)C(=O)O)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC=C(C(=N2)C(F)(F)F)C(=O)O)Cl)F

InChI

InChI=1S/C12H6ClF4N3O2/c13-7-3-5(1-2-8(7)14)19-11-18-4-6(10(21)22)9(20-11)12(15,16)17/h1-4H,(H,21,22)(H,18,19,20)