Boron Trifluoride Acetic Acid Complex

• Catalog: OFC373615
• CAS: 373-61-5
• Category: Inorganic Fluorides
• Synonyms: Trifluoroborane - acetic acid (1:2)
• Purity: >99%
• MDL Number: MFCD00036359

• IUPAC Name: acetic acid; trifluoroborane
• InChI: InChI=1S/2C2H4O2.BF3/c2*1-2(3)4;2-1(3)4/h2*1H3,(H,3,4)
• InChI Key: COTMJGCQSLZICX-UHFFFAOYSA-N
• Isomeric SMILES: B(F)(F)F.CC(=O)O.CC(=O)O
• Canonical SMILES: FB(F)F.O=C(O)C.O=C(O)C
• EC Number: 206-768-5

• Molecular Formula: C4H8BF3O4
• Molecular Weight: 187.91
• Melting Point: -47 °C
• Boiling Point: 143-146 °C
• Density: 1.353 g/mL
• Appearance: Colorless to amber liquid

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 188.046774
• Monoisotopic Mass: 188.046774
• Topological Polar Surface Area: 74.6Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 39