HCID15472747

2-[2-(3,4-Dichlorophenyl)morpholin-2-YL]ethanol

C12H15Cl2NO2276.16 g/molCAS 191673-56-0

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: OCCC1(c2ccc(Cl)c(Cl)c2)CNCCO1
InChIKey: WNVVRSBOQUEIFR-UHFFFAOYSA-N
分子式: C12H15Cl2NO2
平均分子量: 276.16 g/mol
单同位素质量: 275.0479841

COMPUTED

结构计算性质

等待补全

XLogP: 1.7
极性表面积: 41.5 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 3
重原子: 17
形式电荷: 0
复杂度: 255

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 6 条

2-[2-(3,4-DICHLOROPHENYL)MORPHOLIN-2-YL]ETHANOL191673-56-02-[2-(3,4-Dichlorophenyl)morpholin-2-yl]ethan-1-olSCHEMBL3978164DTXSID10573093WNVVRSBOQUEIFR-UHFFFAOYSA-N

REACTIONS

参与反应

14 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

查看

uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07560549B2

查看

uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07560549B2

查看

uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07560549B2

查看

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

查看

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看