HCID12134707

4-Bromo-2-(hydroxy-phenyl-methyl)-phenol

4-bromo-2-[hydroxy(phenyl)methyl]phenol

C13H11BrO2279.13 g/mol

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IDENTITY

结构与身份

标准SMILES: Oc1ccc(Br)cc1C(O)c1ccccc1
InChIKey: FVSLBHWCCVFFHR-UHFFFAOYSA-N
分子式: C13H11BrO2
平均分子量: 279.13 g/mol
单同位素质量: 277.99424

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 40.5 Å²
氢键供体: 2
氢键受体: 2
可旋转键: 2
重原子: 16
形式电荷: 0
复杂度: 216

ALIASES

名称与别名

共 7 条

Oprea1_668165SCHEMBL4651511FVSLBHWCCVFFHR-UHFFFAOYSA-N4-Bromo-2-(hydroxy(phenyl)methyl)phenol4-bromo-2-(hydroxy-phenyl-methyl)-phenolDB-167140324061-77-0

REACTIONS

参与反应

6 条

uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06858600B2

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uspto-grants-2005_02 · 10.6084/m9.figshare.5104873.v1 · US06858600B2

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

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uspto-grants-2007_12 · 10.6084/m9.figshare.5104873.v1 · US07312246B2

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uspto-grants-2007_12 · 10.6084/m9.figshare.5104873.v1 · US07312246B2

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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