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

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-3-tert-butyl-5-chloranyl-pyrazole-4-carboxylic acid Openeye Name: 3-tert-butyl-5-chloro-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid CAS Name: 3-tert-butyl-5-chloro-1-(2,4-difluorophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-tert-butyl-5-chloro-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid Traditional Name: 3-tert-butyl-5-chloro-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid Formula: C14H13ClF2N2O2 MolecularWeight: 314.715026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1C(=O)O)Cl)C2=C(C=C(C=C2)F)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1C(=O)O)Cl)C2=C(C=C(C=C2)F)F

InChI

InChI=1S/C14H13ClF2N2O2/c1-14(2,3)11-10(13(20)21)12(15)19(18-11)9-5-4-7(16)6-8(9)17/h4-6H,1-3H3,(H,20,21)