2-(Trifluoromethyl)-1H-benzimidazole-7-carbaldehyde

• Catalog: OFC933741414
• CAS: 933741-41-4
• Category: Fluorinated Benzimidazoles
• Synonyms: 1H-Benzimidazole-7-carboxaldehyde, 2-(trifluoromethyl)-
• MDL Number: MFCD25460304

• IUPAC Name: 2-(trifluoromethyl)-1H-benzimidazole-4-carbaldehyde
• InChI: InChI=1S/C9H5F3N2O/c10-9(11,12)8-13-6-3-1-2-5(4-15)7(6)14-8/h1-4H,(H,13,14)
• InChI Key: LBXMNHZOYOADPS-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=C2C(=C1)NC(=N2)C(F)(F)F)C=O
• EC Number: 813-601-5

• Molecular Formula: C9H5F3N2O
• Molecular Weight: 214.14

• 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