HCID59255405

2-(3-Fluoro-4-(2-nitro-ethyl)-phenoxymethyl)-pyridine

2-[[3-fluoro-4-(2-nitroethyl)phenoxy]methyl]pyridine

C14H13FN2O3276.26 g/mol

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IDENTITY

结构与身份

标准SMILES: O=[N+]([O-])CCc1ccc(OCc2ccccn2)cc1F
InChIKey: YFANPVLZXWJXNO-UHFFFAOYSA-N
分子式: C14H13FN2O3
平均分子量: 276.26 g/mol
单同位素质量: 276.09102044

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 67.9 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 5
重原子: 20
形式电荷: 0
复杂度: 311

ALIASES

名称与别名

共 6 条

SCHEMBL510462YFANPVLZXWJXNO-UHFFFAOYSA-N2-(3-fluoro-4-(2-nitro-ethyl)-phenoxymethyl)pyridine2-(3-fluoro-4-(2-nitroethyl)-phenoxymethyl)-pyridine2-(3-fluoro4-(2-nitro-ethyl)-phenoxymethyl)-pyridine2-(3-Fluoro-4-(2-nitro-ethyl)-phenoxymethyl)-pyridine

REACTIONS

参与反应

16 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841327B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841327B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841327B2

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uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07691882B2

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uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07691882B2

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uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07691882B2

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08153662B2

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