HCID235992

2-Bromo-5-methoxy-1,3-dimethylbenzene

C9H11BrO215.09 g/molCAS 6267-34-1

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IDENTITY

结构与身份

标准SMILES: COc1cc(C)c(Br)c(C)c1
InChIKey: RAWZVIWEDAGMPW-UHFFFAOYSA-N
分子式: C9H11BrO
平均分子量: 215.09 g/mol
单同位素质量: 213.99933

COMPUTED

结构计算性质

等待补全

XLogP: 3.3
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: 11
形式电荷: 0
复杂度: 115

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 27 条

2-bromo-5-methoxy-1,3-dimethylbenzene6267-34-1DTXSID00284601RefChem:85776DTXCID80235752613-069-2InChI=1/C9H11BrO/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5H,1-3H4-Bromo-3,5-dimethylanisoleMFCD00461692benzene, 2-bromo-5-methoxy-1,3-dimethyl-4-bromo-3,5-dimethylphenyl methyl ether2-bromo-5-methoxy-1,3-dimethyl-benzeneNSC37991SCHEMBL701066RAWZVIWEDAGMPW-UHFFFAOYSA-NNSC 37991NSC-37991SBB095064AKOS004907337CS-W021621

REACTIONS

参与反应

25 条

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

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

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

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2014_10 · 10.6084/m9.figshare.5104873.v1 · US08859591B2

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uspto-grants-2006_11 · 10.6084/m9.figshare.5104873.v1 · US07138530B2

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uspto-grants-2006_11 · 10.6084/m9.figshare.5104873.v1 · US07138530B2

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

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