6-Chloro-4-fluoro-1H-benzimidazole

• Catalog: OFC1360962408
• CAS: 1360962-40-8
• Category: Fluorinated Benzimidazoles
• Synonyms: 5-Chloro-7-fluoro-1H-benzimidazole
• MDL Number: MFCD22558085

• IUPAC Name: 6-chloro-4-fluoro-1H-benzimidazole
• InChI: InChI=1S/C7H4ClFN2/c8-4-1-5(9)7-6(2-4)10-3-11-7/h1-3H,(H,10,11)
• InChI Key: PBUDBUDKLDAXKS-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C=C(C2=C1NC=N2)F)Cl

• Molecular Formula: C7H4ClFN2
• Molecular Weight: 170.57

• XLogP3-AA: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 170.0047040 g/mol
• Monoisotopic Mass: 170.0047040 g/mol
• Topological Polar Surface Area: 28.7Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 155