2-(3-Bromophenyl)-5-(pentafluorosulfanyl)-1H-benzoimidazole

• Catalog: OFC1379803583
• CAS: 1379803-58-3
• Category: Fluorinated Benzimidazoles
• Synonyms: (OC-6-21)-[2-(3-Bromophenyl)-1H-benzimidazol-5-yl]pentafluorosulfur
• MDL Number: MFCD22370050

• IUPAC Name: [2-(3-bromophenyl)-3H-benzimidazol-5-yl]-pentafluoro-lambda6-sulfane
• InChI: InChI=1S/C13H8BrF5N2S/c14-9-3-1-2-8(6-9)13-20-11-5-4-10(7-12(11)21-13)22(15,16,17,18)19/h1-7H,(H,20,21)
• InChI Key: SSVFWVJLKHCVQG-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC(=CC(=C1)Br)C2=NC3=C(N2)C=C(C=C3)S(F)(F)(F)(F)F

• Molecular Formula: C13H8BrF5N2S
• Molecular Weight: 399.18

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 397.95117 g/mol
• Monoisotopic Mass: 397.95117 g/mol
• Topological Polar Surface Area: 29.7Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 445