HCID9964803

2-Amino-5-iodobenzonitrile

C7H5IN2244.03 g/molCAS 132131-24-9

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IDENTITY

结构与身份

标准SMILES: N#Cc1cc(I)ccc1N
InChIKey: PRIOKVMBFXTMRV-UHFFFAOYSA-N
分子式: C7H5IN2
平均分子量: 244.03 g/mol
单同位素质量: 243.94975

COMPUTED

结构计算性质

等待补全

XLogP: 2.2
极性表面积: 49.8 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 0
重原子: 10
形式电荷: 0
复杂度: 160

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 19 条

2-Amino-5-iodobenzonitrile132131-24-9DTXSID80433418RefChem:255717DTXCID50384246Benzonitrile, 2-amino-5-iodo-2-amino-5-iodo-benzonitrileMFCD077874322-cyano-4-iodoanilineSCHEMBL1577099UQT37U44E3PRIOKVMBFXTMRV-UHFFFAOYSA-NAKOS016003095AS-10372SY016027DB-062880CS-0130296EN300-7397135F035134

REACTIONS

相关反应

30 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 (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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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 (3/10) · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2007_08 · 10.6084/m9.figshare.5104873.v1 · US07256197B2

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