nonafluoropentanoyl bromide

• ChemBase编号: 100416
• 分子式: C5BrF9O
• 平均质量: 326.9425288
• 单一同位素质量: 325.8988806
• SMILES: BrC(=O)C(C(C(F)(F)C(F)(F)F)(F)F)(F)F
• Canonical SMILES: BrC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5BrF9O/c6-1(16)2(7,8)3(9,10)4(11,12)5(13,14)15
• InChIKey: CJRZVDYMJZXUDK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: nonafluoropentanoyl bromide
• IUPAC传统名: nonafluoropentanoyl bromide
• 别名: Nonafluorovaleroyl bromide; Nonafluoropentanoyl bromide

登记号

• MDL号: MFCD00155889
• PubChem SID: 162086568
• PubChem CID: 2775839

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.6942935
• LogD (pH = 7.4): 3.6942935
• Log P: 3.6942935
• 摩尔折射率: 34.1153 cm^3
• 极化性: 13.587618 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Corrosive