4-[2-(Trifluoromethyl)-1H-benzimidazol-1-yl]butanoic acid

• Catalog: OFC876728426
• CAS: 876728-42-6
• Category: Fluorinated Benzimidazoles
• Synonyms: 1H-Benzimidazole-1-butanoicacid, 2-(trifluoromethyl)-
• Purity: 97%
• MDL Number: MFCD07397470

• IUPAC Name: 4-[2-(trifluoromethyl)benzimidazol-1-yl]butanoic acid
• InChI: InChI=1S/C12H11F3N2O2/c13-12(14,15)11-16-8-4-1-2-5-9(8)17(11)7-3-6-10(18)19/h1-2,4-5H,3,6-7H2,(H,18,19)
• InChI Key: HQUSGKZLJZMIHU-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C2C(=C1)N=C(N2CCCC(=O)O)C(F)(F)F

• Molecular Formula: C12H11F3N2O2
• Molecular Weight: 272.22
• Melting Point: 142.5-144.5 °C

• XLogP3-AA: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 272.07726208 g/mol
• Monoisotopic Mass: 272.07726208 g/mol
• Topological Polar Surface Area: 55.1Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 335