dibarium(2+) ion hexacyanoirontetrauide

• ChemBase ID: 107807
• Molecular Formular: C6Ba2FeN6
• Molecular Mass: 486.6034
• Monoisotopic Mass: 487.76387553
• SMILES: [Ba+2].[Ba+2].N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N
• Canonical SMILES: N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N.[Ba+2].[Ba+2]
• InChI: InChI=1S/6CN.2Ba.Fe/c6*1-2;;;/q;;;;;;2*+2;-4
• InChIKey: GYOUXDUJZZOPGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dibarium(2+) ion hexacyanoirontetrauide
• IUPAC Traditional name: dibarium(2+) ferrocyanide
• Synonyms: BARIUM FERROCYANIDE

Database IDs

• CAS Number: 13821-06-2
• PubChem SID: 162094879
• PubChem CID: 25113245

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.2594
• LogD (pH = 7.4): -0.2594
• Log P: -0.2594
• Molar Refractivity: 39.9336 cm^3
• Polarizability: 15.723072 Å^3
• Polar Surface Area: 142.74 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05205089

MP Biomedicals Rare Chemical collection