1H-1,2,4-triazole; tris(4-fluorophenyl)borane

Systemtic Name: 1H-1,2,4-triazole; tris(4-fluorophenyl)borane Openeye Name: 1H-1,2,4-triazole; tris(4-fluorophenyl)borane CAS Name: 1H-1,2,4-triazole; tris(4-fluorophenyl)borane IUPAC Name: 1H-1,2,4-triazole; tris(4-fluorophenyl)borane Traditional Name: 1H-1,2,4-triazole; tris(4-fluorophenyl)borane Formula: C38H27B2F6N3 MolecularWeight: 661.253499

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.B(C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.C1=NC=NN1

Isomeric SMILES

B(C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.B(C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.C1=NC=NN1

InChI

InChI=1S/2C18H12BF3.C2H3N3/c2*20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;1-3-2-5-4-1/h2*1-12H;1-2H,(H,3,4,5)