calcium tetrafluoroboranuide

• ChemBase ID: 94337
• Molecular Formular: BCaF4+
• Molecular Mass: 126.8826128
• Monoisotopic Mass: 126.96550926
• SMILES: [Ca+2].[B-](F)(F)(F)F
• Canonical SMILES: F[B-](F)(F)F.[Ca+2]
• InChI: InChI=1S/BF4.Ca/c2-1(3,4)5;/q-1;+2
• InChIKey: ZMNBUHGLQXMNBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium tetrafluoroboranuide
• IUPAC Traditional name: calcium(2+) tetrafluoroborate
• Synonyms: Calcium tetrafluoroborate 98%

Database IDs

• CAS Number: 15978-68-4
• MDL Number: MFCD00015972
• PubChem SID: 162080991
• PubChem CID: 25156152

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.13
• LogD (pH = 7.4): -1.13
• Log P: -1.13
• Molar Refractivity: 6.0052 cm^3
• Polarizability: 3.1085358 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive