7-Fluoro-4-nitro-1H-benzimidazole

• Catalog: OFC18645937
• CAS: 18645-93-7
• Category: Fluorinated Benzimidazoles
• Synonyms: 4-Fluoro-7-nitrobenzoimidazole
• MDL Number: MFCD26743819

• IUPAC Name: 7-fluoro-4-nitro-1H-benzimidazole
• InChI: InChI=1S/C7H4FN3O2/c8-4-1-2-5(11(12)13)7-6(4)9-3-10-7/h1-3H,(H,9,10)
• InChI Key: QDHJSUZVKXKIAJ-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=C2C(=C1[N+](=O)[O-])N=CN2)F

• Molecular Formula: C7H4FN3O2
• Molecular Weight: 181.12

• XLogP3-AA: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 181.02875454 g/mol
• Monoisotopic Mass: 181.02875454 g/mol
• Topological Polar Surface Area: 74.5Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 220