6-Bromo-4-(trifluoromethoxy)-2-(trifluoromethyl)-1H-benzimidazole

• Catalog: OFC1417341582
• CAS: 1417341-58-2
• Category: Fluorinated Benzimidazoles
• Synonyms: 6-bromo-2-(trifluoromethyl)-1H-benzimidazol-4-yl trifluoromethyl ether
• Purity: 97%
• MDL Number: MFCD22628767

• IUPAC Name: 6-bromo-4-(trifluoromethoxy)-2-(trifluoromethyl)-1H-benzimidazole
• InChI: InChI=1S/C9H3BrF6N2O/c10-3-1-4-6(5(2-3)19-9(14,15)16)18-7(17-4)8(11,12)13/h1-2H,(H,17,18)
• InChI Key: PGXCQZTWGBXGMY-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=C(C2=C1NC(=N2)C(F)(F)F)OC(F)(F)F)Br

• Molecular Formula: C9H3BrF6N2O
• Molecular Weight: 349.03

• XLogP3-AA: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 347.93329 g/mol
• Monoisotopic Mass: 347.93329 g/mol
• Topological Polar Surface Area: 37.9Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 336