disilver(1+) ion 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-bis(olate)

• ChemBase ID: 108337
• Molecular Formular: C6Ag2Cl2O4
• Molecular Mass: 422.7042
• Monoisotopic Mass: 419.72755784
• SMILES: [Ag+].[Ag+].[O-]C1=C(Cl)C(=O)C(=C(Cl)C1=O)[O-]
• Canonical SMILES: [O-]C1=C(Cl)C(=O)C(=C(C1=O)Cl)[O-].[Ag+].[Ag+]
• InChI: InChI=1S/C6H2Cl2O4.2Ag/c7-1-3(9)5(11)2(8)6(12)4(1)10;;/h9,12H;;/q;2*+1/p-2
• InChIKey: HDAPVNLIQQSUEY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disilver(1+) ion 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-bis(olate)
• IUPAC Traditional name: disilver(1+) 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-bis(olate)
• Synonyms: SILVER CHLORANILATE

Database IDs

• CAS Number: 22855-70-5
• PubChem SID: 162094202
• PubChem CID: 89866

CALCULATED PROPERTIES

• Acid pKa: 5.21852
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.3007275
• LogD (pH = 7.4): -1.4047402
• Log P: 0.7647031
• Molar Refractivity: 65.6468 cm^3
• Polarizability: 15.443259 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05206959

MP Biomedicals Rare Chemical collection