HCID2837294

1-(2-Chloro-4-nitrophenyl)-4-methylpiperazine

C11H14ClN3O2255.7 g/molCAS 16154-62-4

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IDENTITY

结构与身份

标准SMILES: CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1
InChIKey: UFFIYCVVTWWGGH-UHFFFAOYSA-N
分子式: C11H14ClN3O2
平均分子量: 255.7 g/mol
单同位素质量: 255.0774544

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 52.3 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 1
重原子: 17
形式电荷: 0
复杂度: 276

ALIASES

名称与别名

共 31 条

1-(2-chloro-4-nitrophenyl)-4-methylpiperazine16154-62-4DTXSID40385500RefChem:223306DTXCID50336523MFCD00030787Piperazine, 1-(2-chloro-4-nitrophenyl)-4-methyl-1-(2-Chloro-4-nitro-phenyl)-4-methyl-piperazineMLS000689081SMR000283168Oprea1_298056CBDivE_010477SCHEMBL2461666CHEMBL1361169SCHEMBL30464734BDBM69204cid_2837294UFFIYCVVTWWGGH-UHFFFAOYSA-NHMS2713A09BBL034686

REACTIONS

相关反应

4 条

uspto-grants-2007_03 · 10.6084/m9.figshare.5104873.v1 · US07189712B2

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uspto-grants-2007_03 · 10.6084/m9.figshare.5104873.v1 · US07189712B2

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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

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