HCID268679

Methyl 5-methyl-4-nitrothiophene-2-carboxylate

C7H7NO4S201.2 g/molCAS 56921-01-8

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)c1cc([N+](=O)[O-])c(C)s1
InChIKey: QXIFGUCZQLEFBZ-UHFFFAOYSA-N
分子式: C7H7NO4S
平均分子量: 201.2 g/mol
单同位素质量: 201.00957888

COMPUTED

结构计算性质

已同步

XLogP: 2
极性表面积: 100 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 2
重原子: 13
形式电荷: 0
复杂度: 227

ALIASES

名称与别名

共 25 条

methyl 5-methyl-4-nitrothiophene-2-carboxylate56921-01-8MFCD186425532-Thiophenecarboxylic acid, 5-methyl-4-nitro-, methyl esterNSC108993SCHEMBL426359SCHEMBL92181335-methyl-4-nitro-thiophene-2-carboxylic acid methyl esterDTXSID20296382QXIFGUCZQLEFBZ-UHFFFAOYSA-NAKOS000278636AB75847NSC 108993NSC-108993BS-32574DA-32286SY166182CS-0153578methyl5-methyl-4-nitrothiophene-2-carboxylateD95098

REACTIONS

参与反应

27 条

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

查看

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

查看

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

查看

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

查看

uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08492405B2

查看

uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07781431B2

查看

uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07781431B2

查看

uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07781431B2

查看