5-Bromo-6-fluoro-2-methyl-1-propylbenzodiazole

• Catalog: OFC1393441990
• CAS: 1393441-99-0
• Category: Fluorinated Benzimidazoles
• Synonyms: 5-bromo-6-fluoro-2-methyl-1-propyl-1H-1,3-benzodiazole
• Purity: >95%
• MDL Number: MFCD22383713

• IUPAC Name: 5-bromo-6-fluoro-2-methyl-1-propylbenzimidazole
• InChI: InChI=1S/C11H12BrFN2/c1-3-4-15-7(2)14-10-5-8(12)9(13)6-11(10)15/h5-6H,3-4H2,1-2H3
• InChI Key: HWRMBDGZJMYFKN-UHFFFAOYSA-N
• Isomeric SMILES: CCCN1C(=NC2=CC(=C(C=C21)F)Br)C

• Molecular Formula: C11H12BrFN2
• Molecular Weight: 271.13

• XLogP3-AA: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 270.01679 g/mol
• Monoisotopic Mass: 270.01679 g/mol
• Topological Polar Surface Area: 17.8Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 227