calcium hypochlorite

• ChemBase ID: 796808
• Molecular Formular: CaClO+
• Molecular Mass: 91.5304
• Monoisotopic Mass: 90.92635828
• SMILES: Cl[O-].[Ca+2]
• Canonical SMILES: [O-]Cl.[Ca+2]
• InChI: InChI=1S/Ca.ClO/c;1-2/q+2;-1
• InChIKey: UPQHMERDKRQBTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium hypochlorite
• IUPAC Traditional name: calcium hypochlorite
• Synonyms: CalciuMhypochlorite

Database IDs

• CAS Number: 7778-54-3

CALCULATED PROPERTIES

• Acid pKa: 7.927097
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.31657937
• LogD (pH = 7.4): 0.20576236
• Log P: 0.3181939
• Molar Refractivity: 7.5792 cm^3
• Polarizability: 3.109203 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%