silver(1+) ion 2-chloro-2,2-difluoroacetate

• ChemBase ID: 111085
• Molecular Formular: C2AgClF2O2
• Molecular Mass: 237.3382064
• Monoisotopic Mass: 235.86058536
• SMILES: [Ag+].[O-]C(=O)C(F)(F)Cl
• Canonical SMILES: [O-]C(=O)C(Cl)(F)F.[Ag+]
• InChI: InChI=1S/C2HClF2O2.Ag/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
• InChIKey: OYMIPVSTAGIOCK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: silver(1+) ion 2-chloro-2,2-difluoroacetate
• IUPAC Traditional name: silver(1+) 2-chloro-2,2-difluoroacetate
• Synonyms: SILVER DIFLUOROCHLOROACETATE

Database IDs

• CAS Number: 2923-14-0
• PubChem SID: 162089679
• PubChem CID: 76220

CALCULATED PROPERTIES

• Acid pKa: 1.1694092
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.3500798
• LogD (pH = 7.4): -2.412935
• Log P: 1.1156695
• Molar Refractivity: 29.3258 cm^3
• Polarizability: 6.9595575 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05217675

MP Biomedicals Rare Chemical collection