tricaesium(1+) ion hexacyanoirontriuide

• ChemBase ID: 108556
• Molecular Formular: C6Cs3FeN6
• Molecular Mass: 610.66575
• Monoisotopic Mass: 610.66973453
• SMILES: [Cs+].[Cs+].[Cs+].N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N
• Canonical SMILES: N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N.[Cs+].[Cs+].[Cs+]
• InChI: InChI=1S/6CN.3Cs.Fe/c6*1-2;;;;/q;;;;;;3*+1;-3
• InChIKey: KVKVNYGKYGGQNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricaesium(1+) ion hexacyanoirontriuide
• IUPAC Traditional name: tricaesium(1+) hexacyanoferrate III
• Synonyms: CESIUM FERRICYANIDE

Database IDs

• PubChem SID: 162106172
• PubChem CID: 25021394

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: false

DETAILS

MP Biomedicals - 05207827

MP Biomedicals Rare Chemical collection