Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- COCc1cccnc1Br
- InChIKey
- VUFHXGCSXOQFOQ-UHFFFAOYSA-N
- 分子式
- C7H8BrNO
- 平均分子量
- 202.05 g/mol
- 单同位素质量
- 200.97893
COMPUTED
结构计算性质
- XLogP
- 1.5
- 极性表面积
- 22.1 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 2
- 重原子
- 10
- 形式电荷
- 0
- 复杂度
- 99
ALIASES
名称与别名
2-bromo-3-(methoxymethyl)pyridine932042-99-4Pyridine, 2-bromo-3-(methoxymethyl)-SCHEMBL1805224SCHEMBL295068152-bromo-3-methoxymethyl-pyridine2-bromo-3-(methoxymethyl)pyridinVUFHXGCSXOQFOQ-UHFFFAOYSA-NDTXSID501299813MFCD27933428AT47992DB-392686CS-0514287EN300-7673990
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08232289B2
查看uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08232289B2
查看uspto-grants-2012_07 · 10.6084/m9.figshare.5104873.v1 · US08232289B2
查看Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
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