1-(3-chloranyl-4-fluoranyl-phenyl)-3-ethyl-5-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-ethyl-5-methyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-ethyl-5-methyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-3-ethyl-5-methyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-ethyl-5-methylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-ethyl-5-methyl-pyrazole-4-carboxylic acid Formula: C13H12ClFN2O2 MolecularWeight: 282.697983

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C(=O)O)C)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCC1=NN(C(=C1C(=O)O)C)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C13H12ClFN2O2/c1-3-11-12(13(18)19)7(2)17(16-11)8-4-5-10(15)9(14)6-8/h4-6H,3H2,1-2H3,(H,18,19)