HCID59296115

Quinolin-7-yl trifluoromethanesulfonate

C10H6F3NO3S277.22 g/mol

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IDENTITY

结构与身份

标准SMILES: O=S(=O)(Oc1ccc2cccnc2c1)C(F)(F)F
InChIKey: FPSAXXSFDJDIRR-UHFFFAOYSA-N
分子式: C10H6F3NO3S
平均分子量: 277.22 g/mol
单同位素质量: 277.00204871

COMPUTED

结构计算性质

已同步

XLogP: 3.1
极性表面积: 64.6 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 2
重原子: 18
形式电荷: 0
复杂度: 390

ALIASES

名称与别名

共 9 条

Quinolin-7-yl trifluoromethanesulfonate163485-84-57-Quinolinyl trifluoromethanesulfonate7-quinolyl triflate7-quinolyl-triflateSCHEMBL1543342SCHEMBL30344840AKOS015966708DB-296828

REACTIONS

参与反应

8 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846933B2

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uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08853202B2

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uspto-grants-2011_12 · 10.6084/m9.figshare.5104873.v1 · US08071592B2

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uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09180123B2

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uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07595300B2

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uspto-grants-2014_03 · 10.6084/m9.figshare.5104873.v1 · US08664401B2

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uspto-grants-2015_04 · 10.6084/m9.figshare.5104873.v1 · US09018384B2

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

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