4-(2-chloranyl-4-fluoranyl-phenyl)-2-methylsulfonyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-chloranyl-4-fluoranyl-phenyl)-2-methylsulfonyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-chloro-4-fluoro-phenyl)-2-methylsulfonyl-pyrimidine-5-carboxylic acid CAS Name: 4-(2-chloro-4-fluorophenyl)-2-methylsulfonyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-chloro-4-fluorophenyl)-2-methylsulfonylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-chloro-4-fluoro-phenyl)-2-mesyl-pyrimidine-5-carboxylic acid Formula: C12H8ClFN2O4S MolecularWeight: 330.719323

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C2=C(C=C(C=C2)F)Cl)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C2=C(C=C(C=C2)F)Cl)C(=O)O

InChI

InChI=1S/C12H8ClFN2O4S/c1-21(19,20)12-15-5-8(11(17)18)10(16-12)7-3-2-6(14)4-9(7)13/h2-5H,1H3,(H,17,18)