heptafluorobutanoic acid silver

• ChemBase ID: 111226
• Molecular Formular: C4HAgF7O2
• Molecular Mass: 321.9065624
• Monoisotopic Mass: 320.89157381
• SMILES: [Ag].OC(=O)C(F)(F)C(F)(F)C(F)(F)F
• Canonical SMILES: OC(=O)C(C(C(F)(F)F)(F)F)(F)F.[Ag]
• InChI: InChI=1S/C4HF7O2.Ag/c5-2(6,1(12)13)3(7,8)4(9,10)11;/h(H,12,13)
• InChIKey: QARYCMDLEXWYCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: heptafluorobutanoic acid silver
• IUPAC Traditional name: heptafluorobutyric acid silver
• Synonyms: SILVER HEPTAFLUOROBUTYRATE

Database IDs

• CAS Number: 3794-64-7
• EC Number: 223-266-1
• PubChem SID: 162103215
• PubChem CID: 16211961

CALCULATED PROPERTIES

• Acid pKa: 1.0653573
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1682938
• LogD (pH = 7.4): -1.2185198
• Log P: 2.3102684
• Molar Refractivity: 22.9899 cm^3
• Polarizability: 9.050593 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: EK7875000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• Risk Statements: R:22-36-58
• Safety Statements: S:26-36/37/39-61

DETAILS

MP Biomedicals - 05218263

MP Biomedicals Rare Chemical collection