HCID68586212

Methyl 4-acetamido-5-bromo-2-hydroxybenzoate

C10H10BrNO4288.09 g/molCAS 89481-86-7

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cc(Br)c(NC(C)=O)cc1O
InChIKey: REGVTULAYHXJGG-UHFFFAOYSA-N
分子式: C10H10BrNO4
平均分子量: 288.09 g/mol
单同位素质量: 286.97932

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 75.6 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 3
重原子: 16
形式电荷: 0
复杂度: 284

ALIASES

名称与别名

共 7 条

Methyl 4-acetamido-5-bromo-2-hydroxybenzoate89481-86-7SCHEMBL3298778DTXSID10738645REGVTULAYHXJGG-UHFFFAOYSA-NMethyl 4-acetylamino-5-bromosalicylateMethyl4-acetamido-5-bromo-2-hydroxybenzoate

REACTIONS

参与反应

4 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07737166B2

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uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07737166B2

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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 (7/10) · 10.1039/C8SC04228D

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