4-Bromo-6-[(trifluoromethyl)sulphonyl]-1H-benzimidazole

• Catalog: OFC1417341560
• CAS: 1417341-56-0
• Category: Fluorinated Benzimidazoles
• Synonyms: 4-Bromo-1H-benzimidazol-6-yl trifluoromethyl sulphone
• MDL Number: MFCD22628765

• IUPAC Name: 4-bromo-6-(trifluoromethylsulfonyl)-1H-benzimidazole
• InChI: InChI=1S/C8H4BrF3N2O2S/c9-5-1-4(17(15,16)8(10,11)12)2-6-7(5)14-3-13-6/h1-3H,(H,13,14)
• InChI Key: NDHODDROMJJEBO-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=C(C2=C1NC=N2)Br)S(=O)(=O)C(F)(F)F

• Molecular Formula: C8H4BrF3N2O2S
• Molecular Weight: 329.09

• XLogP3-AA: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 327.91290 g/mol
• Monoisotopic Mass: 327.91290 g/mol
• Topological Polar Surface Area: 71.2Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 395