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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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