HCID11515381

5'-(5,5-Dimethyl-[1,3,2]dioxaborinan-2-yl)-3,2'-difluorobiphenyl-2-carbonitrile

2-[5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorophenyl]-6-fluorobenzonitrile

C18H16BF2NO2327.1 g/mol

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IDENTITY

结构与身份

标准SMILES: CC1(C)COB(c2ccc(F)c(-c3cccc(F)c3C#N)c2)OC1
InChIKey: RZXIHPZCJNEHBX-UHFFFAOYSA-N
分子式: C18H16BF2NO2
平均分子量: 327.1 g/mol
单同位素质量: 327.1242152

COMPUTED

结构计算性质

已同步

极性表面积: 42.3 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 2
重原子: 24
形式电荷: 0
复杂度: 485

ALIASES

名称与别名

共 4 条

SCHEMBL2649665RZXIHPZCJNEHBX-UHFFFAOYSA-N3,2'-difluoro-5'-(5,5-dimethyl-[1,3,2]dioxaborinan-2-yl)biphenyl-2-carbonitrile5'-(5,5-dimethyl-[1,3,2]dioxaborinan-2-yl)-3,2'-difluorobiphenyl-2-carbonitrile

REACTIONS

参与反应

3 条

uspto-grants-2005_11 · 10.6084/m9.figshare.5104873.v1 · US06960598B2

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uspto-grants-2007_10 · 10.6084/m9.figshare.5104873.v1 · US07279580B2

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uspto-grants-2005_05 · 10.6084/m9.figshare.5104873.v1 · US06900215B2

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