tris(copperdiol); dichlorocopper

• ChemBase ID: 107481
• Molecular Formular: Cl2Cu4H6O6
• Molecular Mass: 427.13404
• Monoisotopic Mass: 423.67253327
• SMILES: O[Cu]O.O[Cu]O.O[Cu]O.Cl[Cu]Cl
• Canonical SMILES: O[Cu]O.O[Cu]O.O[Cu]O.Cl[Cu]Cl
• InChI: InChI=1S/2ClH.4Cu.6H2O/h2*1H;;;;;6*1H2/q;;4*+2;;;;;;/p-8
• InChIKey: JNPOSJBMZIQEKM-UHFFFAOYSA-F

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(copperdiol); dichlorocopper
• IUPAC Traditional name: copper chloride; tris(copperdiol)
• Synonyms: CUPRIC OXYCHLORIDE

Database IDs

• CAS Number: 1332-65-6
• PubChem SID: 162093703
• PubChem CID: 44135802

CALCULATED PROPERTIES

• Acid pKa: 15.8991165
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8224
• LogD (pH = 7.4): -1.8224
• Log P: -1.8224
• Molar Refractivity: 5.1292 cm^3
• Polarizability: 5.6817307 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05203911

MP Biomedicals Rare Chemical collection