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

• Catalog: OFC1314092051
• CAS: 1314092-05-1
• Category: Fluorinated Benzimidazoles
• Synonyms: 7-Chloro-5-fluoro-1H-benzodiazole
• MDL Number: MFCD22493415

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

• 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