HCID81814

5-Bromo-2,4-dihydroxybenzoic acid

C7H5BrO4233.02 g/molCAS 7355-22-8

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1cc(Br)c(O)cc1O
InChIKey: ZRBCISXJLHZOMS-UHFFFAOYSA-N
分子式: C7H5BrO4
平均分子量: 233.02 g/mol
单同位素质量: 231.93712

COMPUTED

结构计算性质

等待补全

XLogP: 2
极性表面积: 77.8 Å²
氢键供体: 3
氢键受体: 4
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 184

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 39 条

5-Bromo-2,4-dihydroxybenzoic acid7355-22-8Benzoic acid, 5-bromo-2,4-dihydroxy-EINECS 230-881-9NSC 60106DTXSID8064640RefChem:102102DTXCID3047556230-881-9InChI=1/C7H5BrO4/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2,9-10H,(H,11,12ZRBCISXJLHZOMS-UHFFFAOYSA-N2,4-Dihydroxy-5-bromobenzoic acidMFCD000024525-Bromo-beta-resorcylic acid5-bromo-2,4-dihydroxy-benzoic acid5-Bromo-.beta.-resorcylic acid.beta.-Resorcylic acid, 5-bromo-NSC-60106beta-Resorcylic acid, 5-bromo-NSC60106

REACTIONS

参与反应

39 条

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08530469B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08530469B2

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uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08530469B2

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

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08883790B2

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uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08883790B2

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uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08883790B2

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