HCID28189

Ethanol, 2-fluoro-2,2-dinitro-

2-fluoro-2,2-dinitroethanol

C2H3FN2O5154.05 g/molCAS 17003-75-7

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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

已同步

XLogP: -0.3
极性表面积: 112 Å²
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

来源：PubChem

General Manufacturing Information

Ethanol, 2-fluoro-2,2-dinitro-: INACTIVE

ALIASES

名称与别名

共 17 条

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

9 条

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

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

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uspto-grants-1987_11 · 10.6084/m9.figshare.5104873.v1 · US04705899

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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-1986_01 · 10.6084/m9.figshare.5104873.v1 · US04567296

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uspto-grants-1986_01 · 10.6084/m9.figshare.5104873.v1 · US04567296

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uspto-grants-1979_02 · 10.6084/m9.figshare.5104873.v1 · US04139403

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