HCID24901887

2-Chloro-4-(3-nitrophenyl)pyrimidine

C10H6ClN3O2235.62 g/mol

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IDENTITY

结构与身份

标准SMILES: O=[N+]([O-])c1cccc(-c2ccnc(Cl)n2)c1
InChIKey: PLUSXPQZOFZYIS-UHFFFAOYSA-N
分子式: C10H6ClN3O2
平均分子量: 235.62 g/mol
单同位素质量: 235.0148541

COMPUTED

结构计算性质

已同步

XLogP: 2.7
极性表面积: 71.6 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 1
重原子: 16
形式电荷: 0
复杂度: 259

ALIASES

名称与别名

共 8 条

2-chloro-4-(3-nitrophenyl)pyrimidine859516-81-72-Chloro-4-(3-nitro-phenyl)-pyrimidinestarbld0011233SCHEMBL824005PLUSXPQZOFZYIS-UHFFFAOYSA-NAKOS017553641DB-409414

REACTIONS

相关反应

10 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732444B2

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uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732444B2

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uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732444B2

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uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07732444B2

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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 (4/10) · 10.1039/C8SC04228D

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uspto-grants-2012_09 · 10.6084/m9.figshare.5104873.v1 · US08268822B2

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uspto-grants-2012_09 · 10.6084/m9.figshare.5104873.v1 · US08268822B2

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