1-t-butyl-6,7-difluoro-2-methylbenzodiazole

• Catalog: OFC1393441707
• CAS: 1393441-70-7
• Category: Fluorinated Benzimidazoles
• Synonyms: 1-tert-butyl-6,7-difluoro-2-methyl-1H-1,3-benzodiazole
• Purity: >95%
• MDL Number: MFCD22383704

• IUPAC Name: 1-tert-butyl-6,7-difluoro-2-methylbenzimidazole
• InChI: InChI=1S/C12H14F2N2/c1-7-15-9-6-5-8(13)10(14)11(9)16(7)12(2,3)4/h5-6H,1-4H3
• InChI Key: ORIFKPFBPSQSPR-UHFFFAOYSA-N
• Isomeric SMILES: CC1=NC2=C(N1C(C)(C)C)C(=C(C=C2)F)F

• Molecular Formula: C12H14F2N2
• Molecular Weight: 224.25

• XLogP3-AA: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 224.11250478 g/mol
• Monoisotopic Mass: 224.11250478 g/mol
• Topological Polar Surface Area: 17.8Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 264