HRID123367
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
- O=[N+]([O-])C(F)(CO)[N+](=O)[O-]
- InChIKey
- DKSPPEUUPARRFY-UHFFFAOYSA-N
- 分子式
- C2H3FN2O5
- 平均分子量
- 154.05 g/mol
- 单同位素质量
- 154.00259936
COMPUTED
结构计算性质
- XLogP
- -0.3
- 极性表面积
- 112 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 1
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 144
USES
用途与制造
General Manufacturing Information
Ethanol, 2-fluoro-2,2-dinitro-: INACTIVE
ALIASES
名称与别名
2-Fluoro-2,2-dinitroethanolEthanol, 2-fluoro-2,2-dinitro-2,2-Dinitro-2-fluoroethanolBRN 1841612EINECS 241-080-9ETHANOL, 2,2-DINITRO-2-FLUORO-DTXSID2066141RefChem:138321DTXCID2035433241-080-917003-75-72-fluoro-2,2-dinitroethan-1-olN6J3LM76ZYSCHEMBL1700920SCHEMBL28599775AKOS006276826NS00054192
REACTIONS
参与反应
HRID161581
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HRID247235
uspto-grants-1987_11
作为反应物
uspto-grants-1987_11 · 10.6084/m9.figshare.5104873.v1 · US04705899
查看条件与参与物HRID836346
Test data from https://doi.org/10.1039/C8SC04228D
作为反应物
Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看条件与参与物HRID1240561
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
查看条件与参与物HRID1285558
uspto-grants-1986_01
作为反应物
uspto-grants-1986_01 · 10.6084/m9.figshare.5104873.v1 · US04567296
查看条件与参与物HRID1285559
uspto-grants-1986_01
作为反应物
uspto-grants-1986_01 · 10.6084/m9.figshare.5104873.v1 · US04567296
查看条件与参与物HRID1390528
uspto-grants-1979_02
作为反应物
uspto-grants-1979_02 · 10.6084/m9.figshare.5104873.v1 · US04139403
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