2-Methyl-5-(trifluoromethyl)-1H-benzo[d]imidazole

• Catalog: OFC6742821
• CAS: 6742-82-1
• Category: Fluorinated Benzimidazoles
• Purity: 96%
• MDL Number: MFCD00526217

• IUPAC Name: 2-methyl-6-(trifluoromethyl)-1H-benzimidazole
• InChI: InChI=1S/C9H7F3N2/c1-5-13-7-3-2-6(9(10,11)12)4-8(7)14-5/h2-4H,1H3,(H,13,14)
• InChI Key: MXJRRPABGUWERH-UHFFFAOYSA-N
• Isomeric SMILES: CC1=NC2=C(N1)C=C(C=C2)C(F)(F)F

• Molecular Formula: C9H7F3N2
• Molecular Weight: 200.16
• Storage: Inert atmosphere, room temperature

• XLogP3-AA: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 200.05613272 g/mol
• Monoisotopic Mass: 200.05613272 g/mol
• Topological Polar Surface Area: 28.7Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 217