5-Fluoro-1H-benzimidazole-4-carbonitrile

• Catalog: OFC1360898583
• CAS: 1360898-58-3
• Category: Fluorinated Benzimidazoles
• Synonyms: 4-Cyano-5-fluoro-1H-benzimidazole
• MDL Number: MFCD22558118

• IUPAC Name: 5-fluoro-1H-benzimidazole-4-carbonitrile
• InChI: InChI=1S/C8H4FN3/c9-6-1-2-7-8(5(6)3-10)12-4-11-7/h1-2,4H,(H,11,12)
• InChI Key: YCKJMBCFSYRWBR-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=C(C2=C1NC=N2)C#N)F

• Molecular Formula: C8H4FN3
• Molecular Weight: 161.14

• XLogP3-AA: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 161.03892530 g/mol
• Monoisotopic Mass: 161.03892530 g/mol
• Topological Polar Surface Area: 52.5Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 222