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

• Catalog: OFC313241144
• CAS: 313241-14-4
• Category: Fluorinated Benzimidazoles
• Synonyms: (2-Trifluoromethyl-benzoimidazol-1-yl)-acetic acid
• Purity: 97%
• MDL Number: MFCD00994711

• IUPAC Name: 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
• InChI: InChI=1S/C10H7F3N2O2/c11-10(12,13)9-14-6-3-1-2-4-7(6)15(9)5-8(16)17/h1-4H,5H2,(H,16,17)
• InChI Key: GPOYZFXQCCJBTF-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C2C(=C1)N=C(N2CC(=O)O)C(F)(F)F

• Molecular Formula: C10H7F3N2O2
• Molecular Weight: 244.17
• Melting Point: 247.5-248.5 °C

• XLogP3-AA: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 244.04596196 g/mol
• Monoisotopic Mass: 244.04596196 g/mol
• Topological Polar Surface Area: 55.1Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 308