{5-[(acetyloxy)mercurio]-2-amino-3-methylphenyl}mercurio acetate

• ChemBase编号: 111332
• 分子式: C11H13Hg2NO4
• 平均质量: 624.40522
• 单一同位素质量: 627.0257439
• SMILES: CC(=O)O[Hg]c1cc([Hg]OC(=O)C)c(N)c(C)c1
• Canonical SMILES: CC(=O)O[Hg]c1cc([Hg]OC(=O)C)c(c(c1)C)N
• InChI: InChI=1S/C7H7N.2C2H4O2.2Hg/c1-6-4-2-3-5-7(6)8;2*1-2(3)4;;/h3-4H,8H2,1H3;2*1H3,(H,3,4);;/q;;;2*+1/p-2
• InChIKey: ZSIKYPOIFAESCC-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: {5-[(acetyloxy)mercurio]-2-amino-3-methylphenyl}mercurio acetate
• IUPAC传统名: {5-[(acetyloxy)mercurio]-2-amino-3-methylphenyl}mercurio acetate
• 别名: 1,2-TOLUIDINE-4,6-DIMERCURIACETATE

登记号

• PubChem SID: 162106503
• PubChem CID: 44135924

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.6719547
• LogD (pH = 7.4): -0.67160445
• Log P: -0.6716
• 摩尔折射率: 58.0644 cm^3
• 极化性: 37.257713 Å^3
• 极化表面积: 78.62 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

详细说明

MP Biomedicals - 05218670

MP Biomedicals Rare Chemical collection