HCID59253942

(4-Nitrophenoxy)-acetic acid-2-[2-(4-nitrophenoxy)-acetoxy]-ethyl ester

2-[2-(4-nitrophenoxy)acetyl]oxyethyl 2-(4-nitrophenoxy)acetate

C18H16N2O10420.3 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(COc1ccc([N+](=O)[O-])cc1)OCCOC(=O)COc1ccc([N+](=O)[O-])cc1
InChIKey: OTOVYEWOAJNAGA-UHFFFAOYSA-N
分子式: C18H16N2O10
平均分子量: 420.3 g/mol
单同位素质量: 420.08049471

COMPUTED

结构计算性质

已同步

XLogP: 3.1
极性表面积: 163 Å²
氢键供体: 0
氢键受体: 10
可旋转键: 11
重原子: 30
形式电荷: 0
复杂度: 535

ALIASES

名称与别名

共 4 条

SCHEMBL832731OTOVYEWOAJNAGA-UHFFFAOYSA-N(4-Nitro-phenoxy)-acetic acid-2-[2-(4-nitro-phenoxy)-acetoxy]-ethyl ester(4-Nitrophenoxy)-acetic acid-2-[2-(4-nitrophenoxy)-acetoxy]-ethyl ester

REACTIONS

参与反应

15 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846845B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846845B2

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uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08367747B2

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uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07772352B2

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uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07772352B2

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uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07691364B2

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uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07691364B2

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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