HCID91685

3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid

C14H8ClF3O3316.66 g/molCAS 63734-62-3

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IDENTITY

结构与身份

标准SMILES: O=C(O)c1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1
InChIKey: ONKRUAQFUNKYAX-UHFFFAOYSA-N
分子式: C14H8ClF3O3
平均分子量: 316.66 g/mol
单同位素质量: 316.0114063

COMPUTED

结构计算性质

等待补全

XLogP: 4.5
极性表面积: 46.5 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 3
重原子: 21
形式电荷: 0
复杂度: 375

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 33 条

3-(2-Chloro-4-(trifluoromethyl)phenoxy)benzoic acid3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid3-(2-chloro-4-trifluoromethylphenoxy)benzoic acidEINECS 264-433-9UNII-IFR9214DL2IFR9214DL2Benzoic acid, 3-(2-chloro-4-(trifluoromethyl)phenoxy)-Benzoic acid, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-DTXSID40281213-((2-CHLORO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-4-TOLYL)OXY)BENZOIC ACIDRefChem:92167DTXCID0081213-((2-CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUORO-4-TOLYL)OXY)BENZOIC ACID264-433-963734-62-3MFCD01762544C14H8ClF3O3SCHEMBL3791436SCHEMBL30278570AKOS015960893

REACTIONS

参与反应

28 条

uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04220468

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uspto-grants-1986_09 · 10.6084/m9.figshare.5104873.v1 · US04613360

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

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uspto-grants-1983_08 · 10.6084/m9.figshare.5104873.v1 · US04401828

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uspto-grants-1977_06 · 10.6084/m9.figshare.5104873.v1 · US04031131

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uspto-grants-1977_06 · 10.6084/m9.figshare.5104873.v1 · US04031131

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uspto-grants-1977_06 · 10.6084/m9.figshare.5104873.v1 · US04031131

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uspto-grants-1977_12 · 10.6084/m9.figshare.5104873.v1 · US04063929

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