4-Bromo-2-methyl-6-[(trifluoromethyl)sulphonyl]-1H-benzimidazole

• Catalog: OFC1417341593
• CAS: 1417341-59-3
• Category: Fluorinated Benzimidazoles
• Synonyms: 4-Bromo-2-methyl-1H-benzimidazol-6-yl trifluoromethyl sulphone
• MDL Number: MFCD22628764

• IUPAC Name: 4-bromo-2-methyl-6-(trifluoromethylsulfonyl)-1H-benzimidazole
• InChI: InChI=1S/C9H6BrF3N2O2S/c1-4-14-7-3-5(2-6(10)8(7)15-4)18(16,17)9(11,12)13/h2-3H,1H3,(H,14,15)
• InChI Key: NHFOITKIPSUAOD-UHFFFAOYSA-N
• Isomeric SMILES: CC1=NC2=C(N1)C=C(C=C2Br)S(=O)(=O)C(F)(F)F

• Molecular Formula: C9H6BrF3N2O2S
• Molecular Weight: 343.12

• XLogP3-AA: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 341.92855 g/mol
• Monoisotopic Mass: 341.92855 g/mol
• Topological Polar Surface Area: 71.2Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 423