HCID11637730

Ethyl 5-bromo-1-methyl-1H-indole-2-carboxylate

ethyl 5-bromo-1-methylindole-2-carboxylate

C12H12BrNO2282.13 g/molCAS 91844-20-1

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1cc2cc(Br)ccc2n1C
InChIKey: RLEUBLNVHZTFOH-UHFFFAOYSA-N
分子式: C12H12BrNO2
平均分子量: 282.13 g/mol
单同位素质量: 281.00514

COMPUTED

结构计算性质

已同步

XLogP: 3.2
极性表面积: 31.2 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 3
重原子: 16
形式电荷: 0
复杂度: 272

ALIASES

名称与别名

共 17 条

Ethyl 5-bromo-1-methyl-1H-indole-2-carboxylate91844-20-1DTXSID30469848RefChem:344285DTXCID80420666ethyl 5-bromo-1-methylindole-2-carboxylateMFCD09027165Ethyl 5-bromo-1-methyl-indole-2-carboxylateSCHEMBL1096993SCHEMBL31435629RLEUBLNVHZTFOH-UHFFFAOYSA-NRDA84420AKOS005073149AT32176KA-0922DA-337845-bromo-1-methyl-1H-indole-2-carboxylic acid ethyl ester

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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uspto-grants-2016_08 · 10.6084/m9.figshare.5104873.v1 · US09409905B2

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uspto-grants-2016_08 · 10.6084/m9.figshare.5104873.v1 · US09409905B2

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uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08153624B2

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