5-Bromo-1-ethyl-6-fluoro-2-methylbenzodiazole

• Catalog: OFC1381944746
• CAS: 1381944-74-6
• Category: Fluorinated Benzimidazoles
• Synonyms: 5-bromo-1-ethyl-6-fluoro-2-methyl-1H-1,3-benzodiazole
• Purity: >95%
• MDL Number: MFCD22375036

• IUPAC Name: 5-bromo-1-ethyl-6-fluoro-2-methylbenzimidazole
• InChI: InChI=1S/C10H10BrFN2/c1-3-14-6(2)13-9-4-7(11)8(12)5-10(9)14/h4-5H,3H2,1-2H3
• InChI Key: VGGPNTMICVOHLJ-UHFFFAOYSA-N
• Isomeric SMILES: CCN1C(=NC2=CC(=C(C=C21)F)Br)C

• Molecular Formula: C10H10BrFN2
• Molecular Weight: 257.10

• XLogP3-AA: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 256.00114 g/mol
• Monoisotopic Mass: 256.00114 g/mol
• Topological Polar Surface Area: 17.8Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 214