HCID252610

3-Iodobenzaldehyde

C7H5IO232.02 g/molCAS 696-41-3

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IDENTITY

结构与身份

标准SMILES: O=Cc1cccc(I)c1
InChIKey: RZODAQZAFOBFLS-UHFFFAOYSA-N
分子式: C7H5IO
平均分子量: 232.02 g/mol
单同位素质量: 231.93851

COMPUTED

结构计算性质

等待补全

XLogP: 2.2
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 1
重原子: 9
形式电荷: 0
复杂度: 103

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 31 条

3-IodobenzaldehydeDTXSID80291292RefChem:502754DTXCID30242436626-706-4696-41-33-Iodo-benzaldehydeMFCD00039573Benzaldehyde, 3-iodo-m-JodbenzaldehydNSC746943-iodo benzaldehyde3-Iodobenzaldehyde, 97%SCHEMBL97068SCHEMBL97069SCHEMBL29794189NSC-74694SBB064701STK788481AKOS000478333

REACTIONS

参与反应

61 条

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07427616B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08530476B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846712B2

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

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uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08653142B2

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

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