Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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IDENTITY
结构与身份
- 标准SMILES
- CCCCCCCCCCOc1ccc(Br)cc1F
- InChIKey
- NSEVTLJIOWRDEU-UHFFFAOYSA-N
- 分子式
- C16H24BrFO
- 平均分子量
- 331.26 g/mol
- 单同位素质量
- 330.09946
COMPUTED
结构计算性质
- XLogP
- 7.2
- 极性表面积
- 9.2 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 10
- 重原子
- 19
- 形式电荷
- 0
- 复杂度
- 213
ALIASES
名称与别名
SCHEMBL82169264-decyloxy-3-fluorophenyl bromideNSEVTLJIOWRDEU-UHFFFAOYSA-N1-Bromo-3-fluoro-4-decyloxybenzene4-Bromo-1-decyloxy-2-fluorobenzene
REACTIONS
参与反应
uspto-grants-1998_05 · 10.6084/m9.figshare.5104873.v1 · US05750050
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uspto-grants-1998_05 · 10.6084/m9.figshare.5104873.v1 · US05750050
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uspto-grants-1998_12 · 10.6084/m9.figshare.5104873.v1 · US05853613
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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
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uspto-grants-1993_01 · 10.6084/m9.figshare.5104873.v1 · US05178791
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uspto-grants-1995_10 · 10.6084/m9.figshare.5104873.v1 · US05457235
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