barium(2+) ion fluorophosphonate

• ChemBase ID: 111902
• Molecular Formular: BaFO3P
• Molecular Mass: 235.2973642
• Monoisotopic Mass: 235.86215571
• SMILES: [Ba+2].[O-]P(=O)([O-])F
• Canonical SMILES: [O-]P(=O)(F)[O-].[Ba+2]
• InChI: InChI=1S/Ba.FH2O3P/c;1-5(2,3)4/h;(H2,2,3,4)/q+2;/p-2
• InChIKey: QNHNZAMKMLIQRR-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion fluorophosphonate
• IUPAC Traditional name: barium(2+) fluoro-phosphite ion
• Synonyms: BARIUM FLUOROPHOSPHATE

Database IDs

• PubChem SID: 162106555
• PubChem CID: 20836124

CALCULATED PROPERTIES

• Acid pKa: 0.10044052
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.0146842
• LogD (pH = 7.4): -4.2029057
• Log P: -0.54229677
• Molar Refractivity: 11.3452 cm^3
• Polarizability: 5.1281486 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05221646

MP Biomedicals Rare Chemical collection