HCID19360538

Methyl 4-methoxy-3-(trifluoromethyl)benzoate

C10H9F3O3234.17 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(OC)c(C(F)(F)F)c1
InChIKey: FAOOKWQMNNMWGW-UHFFFAOYSA-N
分子式: C10H9F3O3
平均分子量: 234.17 g/mol
单同位素质量: 234.05037863

COMPUTED

结构计算性质

已同步

XLogP: 2.6
极性表面积: 35.5 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 3
重原子: 16
形式电荷: 0
复杂度: 252

ALIASES

名称与别名

共 12 条

methyl 4-methoxy-3-(trifluoromethyl)benzoate576170-42-8MFCD06204093Benzoic acid, 4-methoxy-3-(trifluoromethyl)-, methyl esterSCHEMBL2470879methyl 3-trifluoromethyl-4-methoxybenzoateDB-386631methyl4-methoxy-3-(trifluoromethyl)benzoateCS-0195456E89869F1014294-Methoxy-3-trifluoromethylbenzoic acid methyl ester

REACTIONS

相关反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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

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uspto-grants-2000_02 · 10.6084/m9.figshare.5104873.v1 · US06022899

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uspto-grants-1998_05 · 10.6084/m9.figshare.5104873.v1 · US05753710

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