HCID867501

5-(4-Nitrophenoxy)-1H-isoindole-1,3(2H)-dione

5-(4-nitrophenoxy)isoindole-1,3-dione

C14H8N2O5284.22 g/molCAS 284462-38-0

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IDENTITY

结构与身份

标准SMILES: O=C1NC(=O)c2cc(Oc3ccc([N+](=O)[O-])cc3)ccc21
InChIKey: SIYSZMYKSGLGCS-UHFFFAOYSA-N
分子式: C14H8N2O5
平均分子量: 284.22 g/mol
单同位素质量: 284.04332136

COMPUTED

结构计算性质

已同步

XLogP: 2.1
极性表面积: 101 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 2
重原子: 21
形式电荷: 0
复杂度: 453

PROPERTIES

实验与物化性质

来源：PubChem

Solubility

2.5 [ug/mL] (The mean of the results at pH 7.4)

ALIASES

名称与别名

共 18 条

5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione284462-38-0RefChem:3000905-(4-nitrophenoxy)isoindoline-1,3-dione5-(4-nitrophenoxy)isoindole-1,3-dioneCambridge id 5568438Oprea1_509631MLS001164440SCHEMBL177892CHEMBL1342340SIYSZMYKSGLGCS-UHFFFAOYSA-NDTXSID801252674HMS2829M23AKOS003237747SMR000496639DB-206357MLS-0315666.0001AB00089616-01

REACTIONS

参与反应

24 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841330B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841330B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08841330B2

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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 (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07528255B2

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uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07528255B2

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