indium(3+) ion ditrifluoroacetate oxidanide

• ChemBase编号: 106835
• 分子式: C4HF6InO5
• 平均质量: 357.8561592
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: indium(3+) ion ditrifluoroacetate oxidanide
• IUPAC传统名: indium(3+) ditrifluoroacetate OH-
• 别名: INDIUM TRIFLUOROACETATE

登记号

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

理论计算性质

• Acid pKa: 0.9503416
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -2.5809014
• LogD (pH = 7.4): -2.6199632
• Log P: 0.90898293
• 摩尔折射率: 24.491 cm^3
• 极化性: 5.106112 Å^3
• 极化表面积: 40.13 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

详细说明

MP Biomedicals - 05201601

MP Biomedicals Rare Chemical collection