2-Chloro-7-(trifluoromethyl)-1H-benzimidazole

• Catalog: OFC1075753273
• CAS: 1075753-27-3
• Category: Fluorinated Benzimidazoles
• Synonyms: 2-Chloro-4-(trifluoromethyl)-1H-benzo[d]imidazole
• MDL Number: MFCD22562508

• IUPAC Name: 2-chloro-4-(trifluoromethyl)-1H-benzimidazole
• InChI: InChI=1S/C8H4ClF3N2/c9-7-13-5-3-1-2-4(6(5)14-7)8(10,11)12/h1-3H,(H,13,14)
• InChI Key: KMDQLFANQXPHKP-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=C2C(=C1)NC(=N2)Cl)C(F)(F)F

• Molecular Formula: C8H4ClF3N2
• Molecular Weight: 220.58

• XLogP3-AA: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 220.0015103 g/mol
• Monoisotopic Mass: 220.0015103 g/mol
• Topological Polar Surface Area: 28.7Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 221