HCID78209

Chloroacetyl isocyanate

2-chloroacetyl isocyanate

C3H2ClNO2119.5 g/molCAS 4461-30-7

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IDENTITY

结构与身份

标准SMILES: O=C=NC(=O)CCl
InChIKey: MOVMEFHWBOWMFU-UHFFFAOYSA-N
分子式: C3H2ClNO2
平均分子量: 119.5 g/mol
单同位素质量: 118.977406

COMPUTED

结构计算性质

等待补全

XLogP: 1.6
极性表面积: 46.5 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 1
重原子: 7
形式电荷: 0
复杂度: 116

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 31 条

Chloroacetyl isocyanate4461-30-7Acetyl isocyanate, chloro-H5WF2AMH7JDTXSID30196248RefChem:575773DTXCID40118739224-715-42-Chloroacetyl isocyanateUNII-H5WF2AMH7JChloroacetyl isocyanteChloro-acetyl isocyanateEINECS 224-715-4MFCD000020342-chloroethanecarbonyl isocyanateC3H2ClNO2Chloroacetylisocyanatechloroacetic acid anhydride with isocyanic acidalpha-chloroacetyl isocyanateSCHEMBL482641

REACTIONS

参与反应

56 条

uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04225618

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822518B2

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

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uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07868037B2

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uspto-grants-1977_07 · 10.6084/m9.figshare.5104873.v1 · US04036984

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uspto-grants-1997_07 · 10.6084/m9.figshare.5104873.v1 · US05644053

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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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