HCID11276907

2-Hydroxy-5-(5-trifluoromethyl-tetrazol-1-yl)benzaldehyde

2-hydroxy-5-[5-(trifluoromethyl)tetrazol-1-yl]benzaldehyde

C9H5F3N4O2258.16 g/mol

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IDENTITY

结构与身份

标准SMILES: O=Cc1cc(-n2nnnc2C(F)(F)F)ccc1O
InChIKey: HUZDUGOQWSFXGK-UHFFFAOYSA-N
分子式: C9H5F3N4O2
平均分子量: 258.16 g/mol
单同位素质量: 258.0364599

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 80.9 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 2
重原子: 18
形式电荷: 0
复杂度: 315

ALIASES

名称与别名

共 4 条

2-hydroxy-5-(5-trifluoromethyl-tetrazol-1-yl)benzaldehydeSCHEMBL3115462-Hydroxy-5-(5-trifluoromethyl-tetrazol-1-yl)-benzaldehyde2-hydroxy-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]benzaldehyde

REACTIONS

参与反应

7 条

uspto-grants-2000_02 · 10.6084/m9.figshare.5104873.v1 · US06020346

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uspto-grants-1999_07 · 10.6084/m9.figshare.5104873.v1 · US05919803

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uspto-grants-1999_07 · 10.6084/m9.figshare.5104873.v1 · US05919803

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uspto-grants-2001_06 · 10.6084/m9.figshare.5104873.v1 · US06241964B1

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uspto-grants-2001_06 · 10.6084/m9.figshare.5104873.v1 · US06241964B1

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

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

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