HCID13620747

4,4,4-Trifluorobutyl 4-methylbenzenesulfonate

C11H13F3O3S282.28 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(S(=O)(=O)OCCCC(F)(F)F)cc1
InChIKey: GCDCOBYBHQJKDU-UHFFFAOYSA-N
分子式: C11H13F3O3S
平均分子量: 282.28 g/mol
单同位素质量: 282.05374993

COMPUTED

结构计算性质

已同步

XLogP: 3.3
极性表面积: 51.8 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 5
重原子: 18
形式电荷: 0
复杂度: 338

ALIASES

名称与别名

共 9 条

4,4,4-trifluorobutyl 4-methylbenzenesulfonate2317-53-54,4,4-trifluorobutyl 4-methylbenzene-1-sulfonateSCHEMBL2830841-Tosyloxy-4,4,4-trifluorobutaneSS-7007DB-132991F95295EN300-7316892

REACTIONS

参与反应

5 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08859596B2

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uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08859596B2

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uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08188135B2

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uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08188135B2

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