4-cyanobenzamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-cyanobenzamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-cyanobenzamide; 2,2,2-trifluoroacetic acid CAS Name: 4-cyanobenzamide; 2,2,2-trifluoroacetic acid IUPAC Name: 4-cyanobenzamide; 2,2,2-trifluoroacetic acid Traditional Name: 4-cyanobenzamide; 2,2,2-trifluoroacetic acid Formula: C10H7F3N2O3 MolecularWeight: 260.16939

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C8H6N2O.C2HF3O2/c9-5-6-1-3-7(4-2-6)8(10)11;3-2(4,5)1(6)7/h1-4H,(H2,10,11);(H,6,7)