HCID17020

3-Bromopropionitrile

3-bromopropanenitrile

C3H4BrN133.97 g/molCAS 2417-90-5

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IDENTITY

结构与身份

标准SMILES: N#CCCBr
InChIKey: CQZIEDXCLQOOEH-UHFFFAOYSA-N
分子式: C3H4BrN
平均分子量: 133.97 g/mol
单同位素质量: 132.95271

COMPUTED

结构计算性质

等待补全

XLogP: 0.7
极性表面积: 23.8 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 1
重原子: 5
形式电荷: 0
复杂度: 51

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 62 条

3-Bromopropionitrile2417-90-5Propanenitrile, 3-bromo-3-Bromopropiononitrile6EP8MS6M7UNSC-8021DTXSID00623971Bromo2cyanoethane3bromopropanenitrile2Bromoethyl cyanide2Cyanoethyl bromidebetaBromopropionitrilePropionitrile, 3bromoPropanenitrile, 3bromoPropionitrile, betabromoRefChem:93262DTXCID1037018219-332-4CQZIEDXCLQOOEH-UHFFFAOYSA-NInChI=1/C3H4BrN/c4-2-1-3-5/h1-2H

REACTIONS

参与反应

150 条

uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04220781

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08530648B2

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uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05624927

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846677B2

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

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uspto-grants-1995_11 · 10.6084/m9.figshare.5104873.v1 · US05470851

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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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