HCID22568891

Ethyl4-(4-bromomethyl-3-methyl-phenylethynyl)-benzoate

ethyl 4-[2-[4-(bromomethyl)-3-methylphenyl]ethynyl]benzoate

C19H17BrO2357.2 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1ccc(C#Cc2ccc(CBr)c(C)c2)cc1
InChIKey: JCGUSHOOZOQKGV-UHFFFAOYSA-N
分子式: C19H17BrO2
平均分子量: 357.2 g/mol
单同位素质量: 356.04119

COMPUTED

结构计算性质

等待补全

XLogP: 5.1
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 6
重原子: 22
形式电荷: 0
复杂度: 425

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 5 条

SCHEMBL5738127JCGUSHOOZOQKGV-UHFFFAOYSA-NEthyl 4-(4-bromomethyl-3-methyl-phenylethynyl)-benzoateEthyl 4-(4-bromomethyl3-methyl-phenylethynyl)-benzoateethyl4-(4-bromomethyl-3-methyl-phenylethynyl)-benzoate

REACTIONS

参与反应

32 条

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06855512B2

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uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06855512B2

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713647B2

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uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713647B2

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uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06359135B1

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uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06359135B1

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uspto-grants-2001_10 · 10.6084/m9.figshare.5104873.v1 · US06303785B1

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uspto-grants-2003_08 · 10.6084/m9.figshare.5104873.v1 · US06603019B2

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