HRID102148
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物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
- XLogP
- 2
- 极性表面积
- 100 Ų
- 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
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
HRID102586
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物HRID146564
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看条件与参与物HRID206661
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看条件与参与物HRID453569
uspto-grants-2013_07
作为反应物
uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08492405B2
查看条件与参与物HRID505776
uspto-grants-2010_08
作为反应物
uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07781431B2
查看条件与参与物HRID505792
uspto-grants-2010_08
作为反应物
uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07781431B2
查看条件与参与物HRID583776
uspto-grants-2005_08
作为反应物
uspto-grants-2005_08 · 10.6084/m9.figshare.5104873.v1 · US06924276B2
查看条件与参与物