HCID67979505

(5-Bromo-2-fluorophenyl)(1-hydroxy-4-methoxycyclohexyl)methanone

(5-bromo-2-fluorophenyl)-(1-hydroxy-4-methoxycyclohexyl)methanone

C14H16BrFO3331.18 g/mol

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IDENTITY

结构与身份

标准SMILES: COC1CCC(O)(C(=O)c2cc(Br)ccc2F)CC1
InChIKey: KYXHPJQTEAWXTK-UHFFFAOYSA-N
分子式: C14H16BrFO3
平均分子量: 331.18 g/mol
单同位素质量: 330.02669

COMPUTED

结构计算性质

等待补全

XLogP: 2.7
极性表面积: 46.5 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 3
重原子: 19
形式电荷: 0
复杂度: 329

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 6 条

(5-Bromo-2-fluorophenyl)(1-hydroxy-4-methoxycyclohexyl)methanone1383985-07-6SCHEMBL9948268KYXHPJQTEAWXTK-UHFFFAOYSA-NDB-085256(5-bromo-2-fluorophenyl)(1-hydroxy-4-methoxycyclohexyl)-methanone

REACTIONS

相关反应

9 条

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

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uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08865911B2

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uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08865911B2

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uspto-grants-2016_02 · 10.6084/m9.figshare.5104873.v1 · US09248129B2

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uspto-grants-2016_02 · 10.6084/m9.figshare.5104873.v1 · US09248129B2

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uspto-grants-2016_02 · 10.6084/m9.figshare.5104873.v1 · US09248129B2

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uspto-grants-2013_04 · 10.6084/m9.figshare.5104873.v1 · US08415483B2

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uspto-grants-2013_04 · 10.6084/m9.figshare.5104873.v1 · US08415483B2

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