HCID22018338

6-Bromo-2-methoxy-1-methylnaphthalene

C12H11BrO251.12 g/molCAS 247174-14-7

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IDENTITY

结构与身份

标准SMILES: COc1ccc2cc(Br)ccc2c1C
InChIKey: SUJMWZOKVNXBLD-UHFFFAOYSA-N
分子式: C12H11BrO
平均分子量: 251.12 g/mol
单同位素质量: 249.99933

COMPUTED

结构计算性质

已同步

XLogP: 4.2
极性表面积: 9.2 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 1
重原子: 14
形式电荷: 0
复杂度: 195

ALIASES

名称与别名

共 7 条

6-Bromo-2-methoxy-1-methylnaphthalene247174-14-7RefChem:307432Naphthalene, 6-bromo-2-methoxy-1-methyl-SCHEMBL5752998SUJMWZOKVNXBLD-UHFFFAOYSA-NDTXSID701286602

REACTIONS

参与反应

4 条

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

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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uspto-grants-2003_06 · 10.6084/m9.figshare.5104873.v1 · US06573289B1

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

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