2-(4-Fluorophenyl)-1H-benzimidazole-5-carboxylic acid

• Catalog: OFC850705305
• CAS: 850705-30-5
• Category: Fluorinated Benzimidazoles
• Synonyms: 5-Carboxy-2-(4-fluorophenyl)-1H-benzimidazole
• MDL Number: MFCD10007771

• IUPAC Name: 2-(4-fluorophenyl)-3H-benzimidazole-5-carboxylic acid
• InChI: InChI=1S/C14H9FN2O2/c15-10-4-1-8(2-5-10)13-16-11-6-3-9(14(18)19)7-12(11)17-13/h1-7H,(H,16,17)(H,18,19)
• InChI Key: YLECAKVNZMDMNS-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C(=O)O)F

• Molecular Formula: C14H9FN2O2
• Molecular Weight: 256.23
• Melting Point: 304-307 °C

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 256.06480570 g/mol
• Monoisotopic Mass: 256.06480570 g/mol
• Topological Polar Surface Area: 66Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 344