HCID66665609

[1-(3-Bromo-phenyl)-2,2-difluoro-1-hydroxymethyl-ethyl]-carbamic acid tert-butyl ester

tert-butyl N-[2-(3-bromophenyl)-1,1-difluoro-3-hydroxypropan-2-yl]carbamate

C14H18BrF2NO3366.2 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)OC(=O)NC(CO)(c1cccc(Br)c1)C(F)F
InChIKey: PMIJBFNWPLYBCY-UHFFFAOYSA-N
分子式: C14H18BrF2NO3
平均分子量: 366.2 g/mol
单同位素质量: 365.04381

COMPUTED

结构计算性质

等待补全

XLogP: 3.1
极性表面积: 58.6 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 6
重原子: 21
形式电荷: 0
复杂度: 363

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 3 条

[1-(3-Bromo-phenyl)-2,2-difluoro-1-hydroxymethyl-ethyl]-carbamic acid tert-butyl esterSCHEMBL361138[1-(3-Bromo-phenyl)-2,2-difluoro-1-hydroxynnethyl-ethyl]-carbamic acid tert-butyl ester

REACTIONS

参与反应

8 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846658B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08846658B2

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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08207164B2

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uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08207164B2

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 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_12 · 10.6084/m9.figshare.5104873.v1 · US08338413B1

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uspto-grants-2012_12 · 10.6084/m9.figshare.5104873.v1 · US08338413B1

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