HCID514855

Benzonitrile, 2-(4-(methylthio)phenoxy)-5-nitro-

2-(4-methylsulfanylphenoxy)-5-nitrobenzonitrile

C14H10N2O3S286.31 g/molCAS 78940-67-7

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IDENTITY

结构与身份

标准SMILES: CSc1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1
InChIKey: ZTHFIRNKHYQYSO-UHFFFAOYSA-N
分子式: C14H10N2O3S
平均分子量: 286.31 g/mol
单同位素质量: 286.04121336

COMPUTED

结构计算性质

已同步

XLogP: 3.5
极性表面积: 104 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 3
重原子: 20
形式电荷: 0
复杂度: 382

ALIASES

名称与别名

共 11 条

Benzonitrile, 2-(4-(methylthio)phenoxy)-5-nitro-78940-67-7Benzonitrile, 2-[4-(methylthio)phenoxy]-5-nitro-CHEMBL342263SCHEMBL6153036DTXSID20229392ZTHFIRNKHYQYSO-UHFFFAOYSA-NAKOS0172617902-(4-(Methylthio)phenoxy)-5-nitrobenzonitrile2-(4-methylsulfanylphenoxy)-5-nitro-benzonitrile2-[4-(Methylsulfanyl)phenoxy]-5-nitrobenzonitrile

REACTIONS

参与反应

7 条

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

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uspto-grants-1982_06 · 10.6084/m9.figshare.5104873.v1 · US04332820

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uspto-grants-1982_06 · 10.6084/m9.figshare.5104873.v1 · US04332820

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uspto-grants-1982_06 · 10.6084/m9.figshare.5104873.v1 · US04332820

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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