HCID66666181

[1-(3-Bromo-phenyl)-1-difluoromethyl-allyl]carbamic acid tert-butyl ester

tert-butyl N-[2-(3-bromophenyl)-1,1-difluorobut-3-en-2-yl]carbamate

C15H18BrF2NO2362.21 g/mol

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IDENTITY

结构与身份

标准SMILES: C=CC(NC(=O)OC(C)(C)C)(c1cccc(Br)c1)C(F)F
InChIKey: PWAARYGBWUWJRK-UHFFFAOYSA-N
分子式: C15H18BrF2NO2
平均分子量: 362.21 g/mol
单同位素质量: 361.0489

COMPUTED

结构计算性质

已同步

XLogP: 4.6
极性表面积: 38.3 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 6
重原子: 21
形式电荷: 0
复杂度: 384

ALIASES

名称与别名

共 3 条

[1-(3-Bromo-phenyl)-1-difluoromethyl-allyl]carbamic acid tert-butyl esterSCHEMBL362703[1-(3-Bromo-phenyl)-1-difluoromethyl-allyl]-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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