HCID91805

1-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrile

1-(4-fluorophenyl)-4-oxocyclohexane-1-carbonitrile

C13H12FNO217.24 g/molCAS 56326-98-8

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IDENTITY

结构与身份

标准SMILES: N#CC1(c2ccc(F)cc2)CCC(=O)CC1
InChIKey: FNWWTNNFZGBMEM-UHFFFAOYSA-N
分子式: C13H12FNO
平均分子量: 217.24 g/mol
单同位素质量: 217.09029217

COMPUTED

结构计算性质

等待补全

XLogP: 1.7
极性表面积: 40.9 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 1
重原子: 16
形式电荷: 0
复杂度: 312

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 41 条

56326-98-84-Cyano-4-(4-fluorophenyl)cyclohexanone1-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrileDTXSID3057777EINECS 260-111-72K2RPS539DCyclohexanecarbonitrile, 1-(4-fluorophenyl)-4-oxo-DTXCID40315664-CYANO-4-(4-FLUOROPHENYL)CYCLOHEXAN-1-ONELEVOCABASTINE HYDROCHLORIDE IMPURITY H [EP IMPURITY]LEVOCABASTINE HYDROCHLORIDE IMPURITY H (EP IMPURITY)RefChem:74487260-111-71-(4-fluorophenyl)-4-oxocyclohexane-1-carbonitrileMFCD00044815UNII-2K2RPS539D_x000D_4-Cyano-4-(4-fluorophenyl)cyclohexanoneSCHEMBL1559063CHEMBL3561226Levocabastine HCl EP Impurity H

REACTIONS

参与反应

18 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541449B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541449B2

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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 (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-1991_03 · 10.6084/m9.figshare.5104873.v1 · US05001125

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uspto-grants-1977_12 · 10.6084/m9.figshare.5104873.v1 · US04065573

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