nickel(2+) ion hexakis(methane) diperchlorate

• ChemBase ID: 107080
• Molecular Formular: C6H24Cl2NiO8
• Molecular Mass: 353.84936
• Monoisotopic Mass: 352.02016599
• SMILES: C.C.C.C.C.C.[Ni+2].[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O
• Canonical SMILES: [O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.C.C.C.C.C.C.[Ni+2]
• InChI: InChI=1S/6CH4.2ClHO4.Ni/c;;;;;;2*2-1(3,4)5;/h6*1H4;2*(H,2,3,4,5);/q;;;;;;;;+2/p-2
• InChIKey: GWPPTBKPEOUCMN-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: nickel(2+) ion hexakis(methane) diperchlorate
• IUPAC Traditional name: nickel(2+) hexakis(flavan) diperchlorate ion
• Synonyms: NICKLE PEROCHLORATE

Database IDs

• CAS Number: 13520-61-1
• PubChem SID: 162094848
• PubChem CID: 83548

CALCULATED PROPERTIES

• Acid pKa: -6.8919964
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.4740524
• LogD (pH = 7.4): -2.4740524
• Log P: -0.097653694
• Molar Refractivity: 11.9079 cm^3
• Polarizability: 5.355259 Å^3
• Polar Surface Area: 74.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05202471

MP Biomedicals Rare Chemical collection