Boron Trifluoride Phosphoric Acid Complex

• Catalog: OFC13669766
• CAS: 13669-76-6
• Category: Inorganic Fluorides
• Synonyms: Trifluoroborane - phosphoric acid (1:1)
• Purity: >99%
• MDL Number: MFCD00040371

• IUPAC Name: phosphoric acid; trifluoroborane
• InChI: InChI=1S/BF3.H3O4P/c2-1(3)4;1-5(2,3)4/h;(H3,1,2,3,4)
• InChI Key: LKWKIVHUCKVYOA-UHFFFAOYSA-N
• Isomeric SMILES: B(F)(F)F.OP(=O)(O)O
• Canonical SMILES: FB(F)F.O=P(O)(O)O
• EC Number: 237-149-8

• Molecular Formula: H3BF3O4P
• Molecular Weight: 165.8
• Boiling Point: 147-158 °C
• Density: 1.84 g/mL
• Appearance: Light brown viscous liquid

• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 165.98141
• Monoisotopic Mass: 165.98141
• Topological Polar Surface Area: 77.8Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 57.8