5-Bromo-1-tert-butyl-6-fluoro-3H-1,3-benzodiazol-2-one

• Catalog: OFC1403483679
• CAS: 1403483-67-9
• Category: Fluorinated Benzimidazoles
• Purity: 98%
• MDL Number: MFCD22549324

• IUPAC Name: 6-bromo-3-tert-butyl-5-fluoro-1H-benzimidazol-2-one
• InChI: InChI=1S/C11H12BrFN2O/c1-11(2,3)15-9-5-7(13)6(12)4-8(9)14-10(15)16/h4-5H,1-3H3,(H,14,16)
• InChI Key: KFQOICSLNWFKDR-UHFFFAOYSA-N
• Isomeric SMILES: CC(C)(C)N1C2=CC(=C(C=C2NC1=O)Br)F

• Molecular Formula: C11H12BrFN2O
• Molecular Weight: 287.13

• XLogP3-AA: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 286.01170 g/mol
• Monoisotopic Mass: 286.01170 g/mol
• Topological Polar Surface Area: 32.3Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 305