HCID10469327

4-[2-Chloro-4-(trifluoromethyl)phenoxy]aniline

C13H9ClF3NO287.66 g/molCAS 55407-28-8

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IDENTITY

结构与身份

标准SMILES: Nc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1
InChIKey: AKWVJIZRAWAXOU-UHFFFAOYSA-N
分子式: C13H9ClF3NO
平均分子量: 287.66 g/mol
单同位素质量: 287.0324761

COMPUTED

结构计算性质

等待补全

XLogP: 3.9
极性表面积: 35.3 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 2
重原子: 19
形式电荷: 0
复杂度: 292

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 6 条

4-[2-chloro-4-(trifluoromethyl)phenoxy]aniline55407-28-8SCHEMBL9582439Benzenamine, 4-[2-chloro-4-(trifluoromethyl)phenoxy]-DTXSID204404844-(2-chloro-4-trifluoromethyl-phenoxy)-aniline

REACTIONS

参与反应

7 条

uspto-grants-1987_06 · 10.6084/m9.figshare.5104873.v1 · US04672139

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uspto-grants-1987_06 · 10.6084/m9.figshare.5104873.v1 · US04672139

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-1978_03 · 10.6084/m9.figshare.5104873.v1 · US04080193

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uspto-grants-1986_11 · 10.6084/m9.figshare.5104873.v1 · US04623658

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uspto-grants-1986_11 · 10.6084/m9.figshare.5104873.v1 · US04623658

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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