5-chloranyl-1-(phenylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 5-chloranyl-1-(phenylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 1-benzyl-5-chloro-3-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 5-chloro-1-(phenylmethyl)-3-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-5-chloro-3-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 1-benzyl-5-chloro-3-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C12H8ClF3N2O2 MolecularWeight: 304.65233

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C(C(=N2)C(F)(F)F)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C(C(=N2)C(F)(F)F)C(=O)O)Cl

InChI

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