HCID2776344

(1-Benzothiophen-3-yl)boronic acid

1-benzothiophen-3-ylboronic acid

C8H7BO2S178.02 g/molCAS 113893-08-6

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IDENTITY

结构与身份

标准SMILES: OB(O)c1csc2ccccc12
InChIKey: QVANIYYVZZLQJP-UHFFFAOYSA-N
分子式: C8H7BO2S
平均分子量: 178.02 g/mol
单同位素质量: 178.0259808

COMPUTED

结构计算性质

等待补全

极性表面积: 68.7 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 165

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 43 条

(1-benzothiophen-3-yl)boronic acidRefChem:392028808-005-7113893-08-6Benzothiophene-3-boronic acidbenzo[b]thiophen-3-ylboronic acid1-benzothiophen-3-ylboronic acidBenzo[b]thien-3-ylboronic acidBenzo[b]thiophene-3-boronic acidBoronic acid, B-benzo[b]thien-3-yl-Thianaphthene-3-boronic acidMFCD01114669Benzothiophen-3-ylboronic Acid1-BENZOTHIEN-3-YLBORONIC ACIDBenzothiophene-3- boronic acidCHEMBL342173Boronic acid, benzo[b]thien-3-yl-1-Benzothiophene-3-boronic acidSCHEMBL9024benzo[b]thiophene3-boronic acid

REACTIONS

相关反应

35 条

uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07098240B2

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uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06858638B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536175B2

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08629160B2

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uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08629160B2

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uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08629160B2

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uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08629160B2

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