Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- COc1ccc(CCl)nc1
- InChIKey
- KSBXDCBRSKRVDC-UHFFFAOYSA-N
- 分子式
- C7H8ClNO
- 平均分子量
- 157.6 g/mol
- 单同位素质量
- 157.0294416
COMPUTED
结构计算性质
- XLogP
- 1.2
- 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-(chloromethyl)-5-methoxypyridine75342-33-52-(CHLOROMETHYL)-5-METHOXY-PYRIDINEMFCD10697536Pyridine, 2-(chloromethyl)-5-methoxy-2-chloromethyl-5-methoxypyridineSCHEMBL1844115SCHEMBL299870126-chloromethyl-3-methoxypyridineDTXSID005612072-chloromethyl-5-methoxy-pyridineKSBXDCBRSKRVDC-UHFFFAOYSA-NAKOS006343755AB59864BS-13334SY317245DB-013926EN300-80011F11620F230715
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08198454B2
查看uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08198454B2
查看uspto-grants-2001_02 · 10.6084/m9.figshare.5104873.v1 · US06194437B1
查看uspto-grants-2010_12 · 10.6084/m9.figshare.5104873.v1 · US07855297B2
查看uspto-grants-2010_12 · 10.6084/m9.figshare.5104873.v1 · US07855297B2
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