2-[2-(Trifluoromethyl)-1H-1,3-benzodiazol-1-yl]propanoic acid

• Catalog: OFC478030590
• CAS: 478030-59-0
• Category: Fluorinated Benzimidazoles
• Synonyms: 2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid
• MDL Number: MFCD02571586

• IUPAC Name: 2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid
• InChI: InChI=1S/C11H9F3N2O2/c1-6(9(17)18)16-8-5-3-2-4-7(8)15-10(16)11(12,13)14/h2-6H,1H3,(H,17,18)
• InChI Key: VUNRUXVPLDGGOY-UHFFFAOYSA-N
• Isomeric SMILES: CC(C(=O)O)N1C2=CC=CC=C2N=C1C(F)(F)F

• Molecular Formula: C11H9F3N2O2
• Molecular Weight: 258.20

• XLogP3-AA: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 258.06161202 g/mol
• Monoisotopic Mass: 258.06161202 g/mol
• Topological Polar Surface Area: 55.1Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 335