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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-methyl-3-propyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-methyl-3-propyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-5-methyl-3-propyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-methyl-3-propylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-methyl-3-propyl-pyrazole-4-carboxylic acid Formula: C14H14ClFN2O2 MolecularWeight: 296.724563

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)O)C)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)O)C)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C14H14ClFN2O2/c1-3-4-12-13(14(19)20)8(2)18(17-12)9-5-6-11(16)10(15)7-9/h5-7H,3-4H2,1-2H3,(H,19,20)