HCID15097545

(2-Fluorophenoxy)acetonitrile

2-(2-fluorophenoxy)acetonitrile

C8H6FNO151.14 g/molCAS 22361-61-1

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IDENTITY

结构与身份

标准SMILES: N#CCOc1ccccc1F
InChIKey: QAYDDGNSGGDTDG-UHFFFAOYSA-N
分子式: C8H6FNO
平均分子量: 151.14 g/mol
单同位素质量: 151.04334198

COMPUTED

结构计算性质

已同步

XLogP: 1.6
极性表面积: 33 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 2
重原子: 11
形式电荷: 0
复杂度: 163

ALIASES

名称与别名

共 29 条

(2-Fluorophenoxy)acetonitrileDTXSID80568153RefChem:206033DTXCID9051892722361-61-12-Fluorophenoxyacetonitrile137988-23-92-(2-Fluorophenoxy)acetonitrileAcetonitrile, 2-(2-fluorophenoxy)-MFCD099413372-(2-Fluoro-phenoxy)acetonitrileAcetonitrile, (2-fluorophenoxy)- (9CI)Acetonitrile, (2-fluorophenoxy)-SCHEMBL22647(2-Fluorophenoxy)-acetonitrileSCHEMBL3256218SCHEMBL15066676SCHEMBL15067878SCHEMBL16395270SCHEMBL31621296

REACTIONS

参与反应

3 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07741493B2

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2008_02 · 10.6084/m9.figshare.5104873.v1 · US07326792B2

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