4-[[4-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-chloranyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid CAS Name: 4-[[4-chloro-3-(trifluoromethyl)-1-pyrazolyl]methyl]benzoic acid IUPAC Name: 4-[[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[4-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]benzoic acid Formula: C12H8ClF3N2O2 MolecularWeight: 304.65233

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C(=N2)C(F)(F)F)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C(=N2)C(F)(F)F)Cl)C(=O)O

InChI

InChI=1S/C12H8ClF3N2O2/c13-9-6-18(17-10(9)12(14,15)16)5-7-1-3-8(4-2-7)11(19)20/h1-4,6H,5H2,(H,19,20)