tridecafluoroheptanoyl bromide

• ChemBase编号: 99015
• 分子式: C7BrF13O
• 平均质量: 426.9575416
• 单一同位素质量: 425.89249348
• SMILES: FC(C(C(C(C(C(C(=O)Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: BrC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C7BrF13O/c8-1(22)2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)21
• InChIKey: KQMDGCKMRBEXNN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tridecafluoroheptanoyl bromide
• IUPAC传统名: tridecafluoroheptanoyl bromide
• 别名: Perfluoroheptanoyl bromide

登记号

• CAS号: 159623-34-4
• MDL号: MFCD00156012
• PubChem SID: 162085317
• PubChem CID: 2776129

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.095579
• LogD (pH = 7.4): 5.095579
• Log P: 5.095579
• 摩尔折射率: 43.4513 cm^3
• 极化性: 17.416489 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Corrosive