5-Chloro-6-(trifluoromethyl)-1H-benzo[d]imidazole-2-carboxylic acid

• Catalog: OFC827042615
• CAS: 827042-61-5
• Category: Fluorinated Benzimidazoles
• Synonyms: 1h-benzimidazole-2-carboxylic acid,6-chloro-5-(trifluoromethyl)-
• Purity: 97%

• IUPAC Name: 5-chloro-6-(trifluoromethyl)-1H-benzimidazole-2-carboxylic acid
• InChI: InChI=1S/C9H4ClF3N2O2/c10-4-2-6-5(1-3(4)9(11,12)13)14-7(15-6)8(16)17/h1-2H,(H,14,15)(H,16,17)
• InChI Key: DNLIWRZMQYWBRA-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C(=CC2=C1NC(=N2)C(=O)O)Cl)C(F)(F)F

• Molecular Formula: C9H4ClF3N2O2
• Molecular Weight: 264.59

• XLogP3-AA: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 263.9913396 g/mol
• Monoisotopic Mass: 263.9913396 g/mol
• Topological Polar Surface Area: 66Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 326