uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07094781B2
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IDENTITY
结构与身份
- 标准SMILES
- COc1ccc(Cl)c(Oc2c(Cl)ncnc2Cl)c1
- InChIKey
- RYTRWDVNPIYXCQ-UHFFFAOYSA-N
- 分子式
- C11H7Cl3N2O2
- 平均分子量
- 305.5 g/mol
- 单同位素质量
- 303.957311
COMPUTED
结构计算性质
- XLogP
- 4.3
- 极性表面积
- 44.2 Ų
- 氢键供体
- 0
- 氢键受体
- 4
- 可旋转键
- 3
- 重原子
- 18
- 形式电荷
- 0
- 复杂度
- 263
ALIASES
名称与别名
4,6-dichloro-5-(2-chloro-5-methoxy-phenoxy)-pyrimidine150727-65-4SCHEMBL4435549RYTRWDVNPIYXCQ-UHFFFAOYSA-NDB-331863
REACTIONS
相关反应
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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uspto-grants-1998_11 · 10.6084/m9.figshare.5104873.v1 · US05837708
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uspto-grants-1998_11 · 10.6084/m9.figshare.5104873.v1 · US05837708
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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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uspto-grants-2007_10 · 10.6084/m9.figshare.5104873.v1 · US07285549B2
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