6-(Trifluoromethyl)-1H-benzo[d]imidazole-2-carbaldehyde

• Catalog: OFC944903917
• CAS: 944903-91-7
• Category: Fluorinated Benzimidazoles
• Synonyms: 5-(trifluoromethyl)-1H-1,3-benzodiazole-2-carbaldehyde
• Purity: >95%
• MDL Number: MFCD18432486

• IUPAC Name: 6-(trifluoromethyl)-1H-benzimidazole-2-carbaldehyde
• InChI: InChI=1S/C9H5F3N2O/c10-9(11,12)5-1-2-6-7(3-5)14-8(4-15)13-6/h1-4H,(H,13,14)
• InChI Key: UAXLBYYHIYNURW-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C=C1C(F)(F)F)NC(=N2)C=O

• Molecular Formula: C9H5F3N2O
• Molecular Weight: 214.14

• XLogP3-AA: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 214.03539727 g/mol
• Monoisotopic Mass: 214.03539727 g/mol
• Topological Polar Surface Area: 45.8Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 256