2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-1,3-benzodiazole

• Catalog: OFC1393845652
• CAS: 1393845-65-2
• Category: Fluorinated Benzimidazoles
• Synonyms: 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-benzimidazole
• MDL Number: MFCD22383952

• IUPAC Name: 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-benzimidazole
• InChI: InChI=1S/C13H7ClF3N3/c14-8-5-7(13(15,16)17)6-18-11(8)12-19-9-3-1-2-4-10(9)20-12/h1-6H,(H,19,20)
• InChI Key: VUOIENCKNVPLDS-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C2C(=C1)NC(=N2)C3=C(C=C(C=N3)C(F)(F)F)Cl
• EC Number: 938-959-0

• Molecular Formula: C13H7ClF3N3
• Molecular Weight: 297.66

• XLogP3-AA: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 297.0280594 g/mol
• Monoisotopic Mass: 297.0280594 g/mol
• Topological Polar Surface Area: 41.6Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 352