HCID12259960

Phenylacetyl isocyanate

2-phenylacetyl isocyanate

C9H7NO2161.16 g/molCAS 4461-27-2

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IDENTITY

结构与身份

标准SMILES: O=C=NC(=O)Cc1ccccc1
InChIKey: SMTUNIMBRXGDKX-UHFFFAOYSA-N
分子式: C9H7NO2
平均分子量: 161.16 g/mol
单同位素质量: 161.04767847

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 46.5 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 2
重原子: 12
形式电荷: 0
复杂度: 201

ALIASES

名称与别名

共 12 条

phenylacetyl isocyanate4461-27-2DTXSID30482835RefChem:369822DTXCID304336452-phenylacetyl isocyanateBenzeneacetyl isocyanate2-PHENYLETHANECARBONYL ISOCYANATESCHEMBL1357419SMTUNIMBRXGDKX-UHFFFAOYSA-NMFCD16301042EN300-2532912

REACTIONS

参与反应

61 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 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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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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