HCID21976728

4-(2-Oxo-4-trifluoromethyl-1,2-dihydroquinolin-6-ylmethyl)benzenesulfonyl chloride

4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonyl chloride

C17H11ClF3NO3S401.8 g/mol

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IDENTITY

结构与身份

标准SMILES: O=c1cc(C(F)(F)F)c2cc(Cc3ccc(S(=O)(=O)Cl)cc3)ccc2[nH]1
InChIKey: LYLMDDFOJQCGRM-UHFFFAOYSA-N
分子式: C17H11ClF3NO3S
平均分子量: 401.8 g/mol
单同位素质量: 401.0100266

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 71.6 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 3
重原子: 26
形式电荷: 0
复杂度: 678

ALIASES

名称与别名

共 4 条

4-(2-oxo-4-trifluoromethyl-1,2-dihydroquinolin-6-ylmethyl)benzenesulfonyl chlorideSCHEMBL57580554-(2-oxo-4-trifluoromethyl-1,2-dihydroquinolin-6-ylmethyl)benzene-sulfonyl chloride4-(2-oxo4-trifluoromethyl-1,2-dihydroquinolin-6-ylmethyl)-benzenesulfonyl chloride

REACTIONS

参与反应

3 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07098340B2

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uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07098340B2

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uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07098340B2

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