5-butyl-3-(2-chloranyl-6-fluoranyl-phenyl)-1H-pyrazole-4-carboxylic acid

Systemtic Name: 5-butyl-3-(2-chloranyl-6-fluoranyl-phenyl)-1H-pyrazole-4-carboxylic acid Openeye Name: 5-butyl-3-(2-chloro-6-fluoro-phenyl)-1H-pyrazole-4-carboxylic acid CAS Name: 5-butyl-3-(2-chloro-6-fluorophenyl)-1H-pyrazole-4-carboxylic acid IUPAC Name: 5-butyl-3-(2-chloro-6-fluorophenyl)-1H-pyrazole-4-carboxylic acid Traditional Name: 5-butyl-3-(2-chloro-6-fluoro-phenyl)-1H-pyrazole-4-carboxylic acid Formula: C14H14ClFN2O2 MolecularWeight: 296.724563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NN1)C2=C(C=CC=C2Cl)F)C(=O)O

Isomeric SMILES

CCCCC1=C(C(=NN1)C2=C(C=CC=C2Cl)F)C(=O)O

InChI

InChI=1S/C14H14ClFN2O2/c1-2-3-7-10-12(14(19)20)13(18-17-10)11-8(15)5-4-6-9(11)16/h4-6H,2-3,7H2,1H3,(H,17,18)(H,19,20)