HCID54112501

Methyl 2-(4-fluorophenyl)-4-(3-bromoprop-1-en-1-yl)benzoate

methyl 4-(3-bromoprop-1-enyl)-2-(4-fluorophenyl)benzoate

C17H14BrFO2349.2 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(C=CCBr)cc1-c1ccc(F)cc1
InChIKey: NIBTWJTUSUFSIK-UHFFFAOYSA-N
分子式: C17H14BrFO2
平均分子量: 349.2 g/mol
单同位素质量: 348.01612

COMPUTED

结构计算性质

等待补全

XLogP: 4.7
极性表面积: 26.3 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 5
重原子: 21
形式电荷: 0
复杂度: 364

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 4 条

SCHEMBL7667754NIBTWJTUSUFSIK-UHFFFAOYSA-Nmethyl 2-(4-fluorophenyl)-4-(3-bromoprop-1-en-1-yl)benzoatemethyl 4-(3-bromoprop-1-en-1-yl)-2-(4-fluorophenyl)benzoate

REACTIONS

参与反应

12 条

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

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-2002_11 · 10.6084/m9.figshare.5104873.v1 · US06486156B1

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uspto-grants-2002_11 · 10.6084/m9.figshare.5104873.v1 · US06486156B1

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uspto-grants-2002_11 · 10.6084/m9.figshare.5104873.v1 · US06486156B1

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