HCID18358875

Ethyl 4-(4-chloro-2-nitrophenyl)-4-hydroxy-2-butynoate

ethyl 4-(4-chloro-2-nitrophenyl)-4-hydroxybut-2-ynoate

C12H10ClNO5283.66 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)C#CC(O)c1ccc(Cl)cc1[N+](=O)[O-]
InChIKey: CICLESMOOUDPCR-UHFFFAOYSA-N
分子式: C12H10ClNO5
平均分子量: 283.66 g/mol
单同位素质量: 283.0247501

COMPUTED

结构计算性质

已同步

XLogP: 2.4
极性表面积: 92.4 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 3
重原子: 19
形式电荷: 0
复杂度: 407

ALIASES

名称与别名

共 4 条

SCHEMBL7868341CICLESMOOUDPCR-UHFFFAOYSA-NEthyl 4-(4-chloro-2-nitrophenyl)-4-hydroxy-2-butynoateethyl 4-(4-chloro-2-nitrophenyl)-4- hydroxy-2-butynoate

REACTIONS

参与反应

9 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-2001_11 · 10.6084/m9.figshare.5104873.v1 · US06313290B1

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uspto-grants-2001_11 · 10.6084/m9.figshare.5104873.v1 · US06313290B1

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uspto-grants-2001_11 · 10.6084/m9.figshare.5104873.v1 · US06313290B1

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uspto-grants-2001_11 · 10.6084/m9.figshare.5104873.v1 · US06313290B1

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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uspto-grants-2000_09 · 10.6084/m9.figshare.5104873.v1 · US06124281

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uspto-grants-2000_09 · 10.6084/m9.figshare.5104873.v1 · US06124281

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