indium(3+) ion ditrifluoroacetate oxidanide

• ChemBase ID: 106835
• Molecular Formular: C4HF6InO5
• Molecular Mass: 357.8561592
• Monoisotopic Mass: 357.87669545
• SMILES: [OH-].[In+3].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F
• Canonical SMILES: [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[OH-].[In+3]
• InChI: InChI=1S/2C2HF3O2.In.H2O/c2*3-2(4,5)1(6)7;;/h2*(H,6,7);;1H2/q;;+3;/p-3
• InChIKey: BBUCWHJGRZZYDP-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: indium(3+) ion ditrifluoroacetate oxidanide
• IUPAC Traditional name: indium(3+) ditrifluoroacetate OH-
• Synonyms: INDIUM TRIFLUOROACETATE

Database IDs

• CAS Number: 66027-94-9
• EC Number: 266-073-8
• PubChem SID: 162094570
• PubChem CID: 105243

CALCULATED PROPERTIES

• Acid pKa: 0.9503416
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.5809014
• LogD (pH = 7.4): -2.6199632
• Log P: 0.90898293
• Molar Refractivity: 24.491 cm^3
• Polarizability: 5.106112 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05201601

MP Biomedicals Rare Chemical collection