dicopper(2+) ion hexacyanoirontriuide iminomethanide

• ChemBase ID: 107835
• Molecular Formular: C7Cu2FeN7
• Molecular Mass: 365.0588
• Monoisotopic Mass: 363.81565054
• SMILES: [Cu+2].[Cu+2].[C-]#N.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.N#[C-].[Cu+2].[Cu+2]
• InChI: InChI=1S/7CN.2Cu.Fe/c7*1-2;;;/q;;;;;;-1;2*+2;-3
• InChIKey: KJWWOROYZSTKJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicopper(2+) ion hexacyanoirontriuide iminomethanide
• IUPAC Traditional name: dicopper(2+) cyanide hexacyanoferrate III
• Synonyms: CUPRIC FERROCYANIDE

Database IDs

• CAS Number: 13601-13-3
• PubChem SID: 162093538
• PubChem CID: 25021464

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 - 05205177

MP Biomedicals Rare Chemical collection