HCID9795358

1-(4-Cyanobenzyl)-5-(chloromethyl)imidazole

4-[[5-(chloromethyl)imidazol-1-yl]methyl]benzonitrile

C12H10ClN3231.68 g/mol

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IDENTITY

结构与身份

标准SMILES: N#Cc1ccc(Cn2cncc2CCl)cc1
InChIKey: NCJBTZGRLAGOIB-UHFFFAOYSA-N
分子式: C12H10ClN3
平均分子量: 231.68 g/mol
单同位素质量: 231.056325

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 41.6 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 3
重原子: 16
形式电荷: 0
复杂度: 265

ALIASES

名称与别名

共 12 条

186202-42-6SCHEMBL7083825NCJBTZGRLAGOIB-UHFFFAOYSA-NDA-089071-(4-cyanobenzyl)-5-chloromethylimidazole1-(4'-cyanobenzyl)-5-chloromethylimidazole1-(4-Cyanobenzyl)-5-(chloromethyl)imidazol1-(4-Cyanobenzyl)-5-Chloromethyl-imidazole1 -(4-Cyanobenzyl)-5-(chloromethyl)imidazol1-(4-Cyanobenzyl)-5-(chloromethyl)-imidazol1-(4-Cyanobenzyl)-5-(chloromethyl)imidazole1-(4-Cyanobenzyl)-5-(chloromethyl)-imidazole

REACTIONS

参与反应

27 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 (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 (6/10) · 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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uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06358956B1

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