Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- O=[N+]([O-])c1ccc(OS(=O)(=O)C(F)(F)F)cc1
- InChIKey
- NDTIXHNCNLKURN-UHFFFAOYSA-N
- 分子式
- C7H4F3NO5S
- 平均分子量
- 271.17 g/mol
- 单同位素质量
- 270.97622789
COMPUTED
结构计算性质
- XLogP
- 2.5
- 极性表面积
- 97.6 Ų
- 氢键供体
- 0
- 氢键受体
- 8
- 可旋转键
- 2
- 重原子
- 17
- 形式电荷
- 0
- 复杂度
- 374
物化、安全与法规信息正在同步。
ALIASES
名称与别名
4-Nitrophenyl trifluoromethanesulfonate17763-80-3DTXSID60338553RefChem:100121DTXCID20289638627-475-2NDTIXHNCNLKURN-UHFFFAOYSA-N(4-nitrophenyl) trifluoromethanesulfonateC7H4F3NO5SMFCD001923544-NitrophenyltriflateMethanesulfonic acid, 1,1,1-trifluoro-, 4-nitrophenyl estertrifluoromethanesulfonic acid 4-nitrophenyl ester4-nitrophenyltrifluoromethanesulfonate4-Nitrophenyl trifluoromethanesulphonate4-Nitrophenyl triflate4-Nitrophenyl trifluoromethanesulfonate,99%SCHEMBL37687CS-M2922AKOS003672484
REACTIONS
参与反应
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