2-Bromo-4,4,4-trifluoro-3,3-dihydroxy-1-(2-thienyl)butan-1-one

• Catalog: OFC182131506
• CAS: 182131-50-6
• Category: Fluorinated Thiophenes
• Synonyms: 1-Butanone, 2-bromo-4,4,4-trifluoro-3,3-dihydroxy-1-(2-thienyl)-
• MDL Number: MFCD00103327

• IUPAC Name: 2-bromo-4,4,4-trifluoro-3,3-dihydroxy-1-thiophen-2-ylbutan-1-one
• InChI: InChI=1S/C8H6BrF3O3S/c9-6(7(14,15)8(10,11)12)5(13)4-2-1-3-16-4/h1-3,6,14-15H
• InChI Key: ACOPGDFDXPPWFE-UHFFFAOYSA-N
• Isomeric SMILES: C1=CSC(=C1)C(=O)C(C(C(F)(F)F)(O)O)Br

• Molecular Formula: C8H6BrF3O3S
• Molecular Weight: 319.10

• XLogP3-AA: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 317.91731 g/mol
• Monoisotopic Mass: 317.91731 g/mol
• Topological Polar Surface Area: 85.8Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 282