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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=N1)C2=C(C=CC=C2Cl)F)C(=O)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=N1)C2=C(C=CC=C2Cl)F)C(=O)O

InChI

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