750 AstraZeneca ELN dataset
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IDENTITY
结构与身份
- 标准SMILES
- COC(=O)c1cc(Br)ccc1I
- InChIKey
- CJRHLSZJEFJDLA-UHFFFAOYSA-N
- 分子式
- C8H6BrIO2
- 平均分子量
- 340.942 g/mol
- 单同位素质量
- 339.85958953
扩展信息尚未完成同步。
REACTIONS
相关反应
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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uspto-grants-2008_11 · 10.6084/m9.figshare.5104873.v1 · US07456196B2
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uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07947711B2
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uspto-grants-2006_12 · 10.6084/m9.figshare.5104873.v1 · US07153889B2
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uspto-grants-2007_04 · 10.6084/m9.figshare.5104873.v1 · US07205316B2
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uspto-grants-2007_07 · 10.6084/m9.figshare.5104873.v1 · US07244725B2
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