3-(3-chloranyl-4-fluoranyl-phenyl)-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 3-(3-chloro-4-fluorophenyl)-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(3-chloro-4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-1-methyl-pyrazole-4-carboxylic acid Formula: C11H8ClFN2O2 MolecularWeight: 254.644823

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=C(C=C2)F)Cl)C(=O)O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=C(C=C2)F)Cl)C(=O)O

InChI

InChI=1S/C11H8ClFN2O2/c1-15-5-7(11(16)17)10(14-15)6-2-3-9(13)8(12)4-6/h2-5H,1H3,(H,16,17)