5-(Trifluoromethyl)-1H-benzimidazole-2-carboxylic acid

• Catalog: OFC2107393
• CAS: 2107-39-3
• Category: Fluorinated Benzimidazoles
• Synonyms: 2-Carboxy-5-(trifluoromethyl)-1H-benzimidazole
• Purity: 95%
• MDL Number: MFCD11052827

• IUPAC Name: 6-(trifluoromethyl)-1H-benzimidazole-2-carboxylic acid
• InChI: InChI=1S/C9H5F3N2O2/c10-9(11,12)4-1-2-5-6(3-4)14-7(13-5)8(15)16/h1-3H,(H,13,14)(H,15,16)
• InChI Key: CNQZCURJVWLZKT-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C=C1C(F)(F)F)NC(=N2)C(=O)O

• Molecular Formula: C9H5F3N2O2
• Molecular Weight: 230.14

• XLogP3-AA: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 230.03031189 g/mol
• Monoisotopic Mass: 230.03031189 g/mol
• Topological Polar Surface Area: 66Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 295