HCID19908

1-Nitro-2-(2-phenylethenyl)benzene

C14H11NO2225.24 g/mol

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IDENTITY

结构与身份

标准SMILES: O=[N+]([O-])c1ccccc1C=Cc1ccccc1
InChIKey: RYJATPLJVSILLB-UHFFFAOYSA-N
分子式: C14H11NO2
平均分子量: 225.24 g/mol
单同位素质量: 225.07897859

COMPUTED

结构计算性质

已同步

XLogP: 3.8
极性表面积: 45.8 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 2
重原子: 17
形式电荷: 0
复杂度: 276

ALIASES

名称与别名

共 9 条

2-nitrostilbene1-nitro-2-(2-phenylethenyl)benzene4714-25-4nitrostilbeneSCHEMBL1578983SCHEMBL29594574RYJATPLJVSILLB-UHFFFAOYSA-N1-phenyl-2-(2-nitro-phenyl)-ethenel-phenyl-2-(2-nitro-phenyl)-ethene

REACTIONS

参与反应

9 条

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

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uspto-grants-2001_11 · 10.6084/m9.figshare.5104873.v1 · US06319940B1

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

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

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-1976_08 · 10.6084/m9.figshare.5104873.v1 · US03972926

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uspto-grants-2003_03 · 10.6084/m9.figshare.5104873.v1 · US06534532B1

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uspto-grants-2004_04 · 10.6084/m9.figshare.5104873.v1 · US06716881B2

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