HCID76847883

2-Pyridinesulfonic acid,2,3-dihydro-7-iodo-5-methoxy-1-oxo-1h-isoindol-4-yl ester

(7-iodo-5-methoxy-1-oxo-2,3-dihydroisoindol-4-yl) pyridine-2-sulfonate

C14H11IN2O5S446.22 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1cc(I)c2c(c1OS(=O)(=O)c1ccccn1)CNC2=O
InChIKey: ZQFYXDJOFYVXHE-UHFFFAOYSA-N
分子式: C14H11IN2O5S
平均分子量: 446.22 g/mol
单同位素质量: 445.94334

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 103 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 4
重原子: 23
形式电荷: 0
复杂度: 552

ALIASES

名称与别名

共 5 条

2-pyridinesulfonic acid,2,3-dihydro-7-iodo-5-methoxy-1-oxo-1h-isoindol-4-yl ester913393-26-7SCHEMBL3037080ZQFYXDJOFYVXHE-UHFFFAOYSA-N4-(2-pyridinesulfonyloxy)-5-methoxy-7-iodoisoindolinone

REACTIONS

参与反应

2 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07745641B2

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

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