2-Chloro-4-fluoro-5-(trifluoromethyl)-1H-1,3-benzimidazole

• Catalog: OFC1803898783
• CAS: 1803898-78-3
• Category: Fluorinated Benzimidazoles
• MDL Number: MFCD28154984

• IUPAC Name: 2-chloro-4-fluoro-5-(trifluoromethyl)-1H-benzimidazole
• InChI: InChI=1S/C8H3ClF4N2/c9-7-14-4-2-1-3(8(11,12)13)5(10)6(4)15-7/h1-2H,(H,14,15)
• InChI Key: FRQYSSVXURCQOS-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C(=C1C(F)(F)F)F)N=C(N2)Cl

• Molecular Formula: C8H3ClF4N2
• Molecular Weight: 238.57

• XLogP3-AA: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 237.9920884 g/mol
• Monoisotopic Mass: 237.9920884 g/mol
• Topological Polar Surface Area: 28.7Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 247