HCID66617354

Methyl 4-[(2-fluoro-4-iodophenyl)amino]thiophene-3-carboxylate

methyl 4-(2-fluoro-4-iodoanilino)thiophene-3-carboxylate

C12H9FINO2S377.18 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: COC(=O)c1cscc1Nc1ccc(I)cc1F
InChIKey: HPIIYIZJKRIUTE-UHFFFAOYSA-N
分子式: C12H9FINO2S
平均分子量: 377.18 g/mol
单同位素质量: 376.93828

COMPUTED

结构计算性质

已同步

XLogP: 4.3
极性表面积: 66.6 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 4
重原子: 18
形式电荷: 0
复杂度: 308

ALIASES

名称与别名

共 7 条

methyl 4-[(2-fluoro-4-iodophenyl)amino]thiophene-3-carboxylate934665-96-0SCHEMBL188153SCHEMBL29413386HPIIYIZJKRIUTE-UHFFFAOYSA-NDB-351999methyl 4-(2-fluoro-4-iodo-phenylamino)-thiophene-3-carboxylate

REACTIONS

参与反应

11 条

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

查看

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08642584B2

查看

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08642584B2

查看

uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07915250B2

查看

uspto-grants-2011_03 · 10.6084/m9.figshare.5104873.v1 · US07915250B2

查看

uspto-grants-2011_08 · 10.6084/m9.figshare.5104873.v1 · US07999006B2

查看

uspto-grants-2011_08 · 10.6084/m9.figshare.5104873.v1 · US07999006B2

查看

uspto-grants-2010_09 · 10.6084/m9.figshare.5104873.v1 · US07803839B2

查看