HCID68491321

2-((Ethoxycarbonyl)methoxy)-5-iodobenzoic acid methyl ester

methyl 2-(2-ethoxy-2-oxoethoxy)-5-iodobenzoate

C12H13IO5364.13 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)COc1ccc(I)cc1C(=O)OC
InChIKey: HNLSXFFRAGMWMA-UHFFFAOYSA-N
分子式: C12H13IO5
平均分子量: 364.13 g/mol
单同位素质量: 363.98077

COMPUTED

结构计算性质

已同步

XLogP: 2.7
极性表面积: 61.8 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 7
重原子: 18
形式电荷: 0
复杂度: 294

ALIASES

名称与别名

共 8 条

705262-57-32-((ethoxycarbonyl)methoxy)-5-iodobenzoic acid methyl ester2-Ethoxycarbonylmethoxy-5-iodo-benzoic acid methyl ester2-Ethoxycarbonylmethoxy-5-iodobenzoic acid methyl estermethyl 2-(2-ethoxy-2-oxoethoxy)-5-iodobenzoateSCHEMBL3045010HNLSXFFRAGMWMA-UHFFFAOYSA-NA1-08472

REACTIONS

参与反应

2 条

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

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uspto-grants-2008_07 · 10.6084/m9.figshare.5104873.v1 · US07405299B2

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