HCID10935698

Diethyl 2-cyano-3-(p-fluorophenyl)glutarate

diethyl 2-cyano-3-(4-fluorophenyl)pentanedioate

C16H18FNO4307.32 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)CC(c1ccc(F)cc1)C(C#N)C(=O)OCC
InChIKey: MHGHQXGVKZMRJH-UHFFFAOYSA-N
分子式: C16H18FNO4
平均分子量: 307.32 g/mol
单同位素质量: 307.12198622

COMPUTED

结构计算性质

已同步

XLogP: 2.4
极性表面积: 76.4 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 9
重原子: 22
形式电荷: 0
复杂度: 423

ALIASES

名称与别名

共 5 条

SCHEMBL6576846MHGHQXGVKZMRJH-UHFFFAOYSA-Ndiethyl 2-cyano-3-(p-fluorophenyl)glutaratediethyl 2-cyano-3-(4-fluorophenyl)-glutarateDiethyl-2-cyano-3-(4'-fluorophenyl)glutarate

REACTIONS

相关反应

19 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 (6/10) · 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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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2002_11 · 10.6084/m9.figshare.5104873.v1 · US06476228B1

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uspto-grants-2002_11 · 10.6084/m9.figshare.5104873.v1 · US06476228B1

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uspto-grants-2002_11 · 10.6084/m9.figshare.5104873.v1 · US06476228B1

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