4-chloranyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid

Systemtic Name: 4-chloranyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid Openeye Name: 4-chloro-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid CAS Name: 4-chloro-1-[[3-(trifluoromethyl)phenoxy]methyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-chloro-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid Traditional Name: 4-chloro-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxylic acid Formula: C12H8ClF3N2O3 MolecularWeight: 320.65173

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCN2C=C(C(=N2)C(=O)O)Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)OCN2C=C(C(=N2)C(=O)O)Cl)C(F)(F)F

InChI

InChI=1S/C12H8ClF3N2O3/c13-9-5-18(17-10(9)11(19)20)6-21-8-3-1-2-7(4-8)12(14,15)16/h1-5H,6H2,(H,19,20)