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

Systemtic Name: 4-iodanylbenzenecarboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-iodobenzamidine; 2,2,2-trifluoroacetic acid CAS Name: 4-iodobenzenecarboximidamide; 2,2,2-trifluoroacetic acid IUPAC Name: 4-iodobenzenecarboximidamide; 2,2,2-trifluoroacetic acid Traditional Name: 4-iodobenzamidine; 2,2,2-trifluoroacetic acid Formula: C11H9F6IN2O4 MolecularWeight: 474.095049

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7IN2.2C2HF3O2/c8-6-3-1-5(2-4-6)7(9)10;2*3-2(4,5)1(6)7/h1-4H,(H3,9,10);2*(H,6,7)