1-tert-butyl-4-iodanyl-5-[2,4,5-tris(fluoranyl)phenyl]pyrazole

Systemtic Name: 1-tert-butyl-4-iodanyl-5-[2,4,5-tris(fluoranyl)phenyl]pyrazole Openeye Name: 1-tert-butyl-4-iodo-5-(2,4,5-trifluorophenyl)pyrazole CAS Name: 1-tert-butyl-4-iodo-5-(2,4,5-trifluorophenyl)pyrazole IUPAC Name: 1-tert-butyl-4-iodo-5-(2,4,5-trifluorophenyl)pyrazole Traditional Name: 1-tert-butyl-4-iodo-5-(2,4,5-trifluorophenyl)pyrazole Formula: C13H12F3IN2 MolecularWeight: 380.14746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=C(C=N1)I)C2=CC(=C(C=C2F)F)F

Isomeric SMILES

CC(C)(C)N1C(=C(C=N1)I)C2=CC(=C(C=C2F)F)F

InChI

InChI=1S/C13H12F3IN2/c1-13(2,3)19-12(11(17)6-18-19)7-4-9(15)10(16)5-8(7)14/h4-6H,1-3H3