Cas no 1408291-26-8 (4-(2-methoxyethoxy)-1-chloroisoquinoline)
1408291-26-8 structure
Product Name:4-(2-methoxyethoxy)-1-chloroisoquinoline
CAS No:1408291-26-8
MF:C12H12ClNO2
MW:237.682182312012
CID:2113843
Update Time:2023-11-19
4-(2-methoxyethoxy)-1-chloroisoquinoline Chemical and Physical Properties
Names and Identifiers
-
- 4-(2-methoxyethoxy)-1-chloroisoquinoline
- SJVJOTMOBFORNY-UHFFFAOYSA-N
- 1-chloro-4-(2-methoxyethoxy)isoquinoline
- 1-chloro-4-(2-methoxyethoxyl)isoquinoline
- Isoquinoline, 1-chloro-4-(2-methoxyethoxy)-
- CID 86683208
-
- Inchi： 1S/C12H12ClNO2/c1-15-6-7-16-11-8-14-12(13)10-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3
- InChI Key： SJVJOTMOBFORNY-UHFFFAOYSA-N
- SMILES： ClC1C2C=CC=CC=2C(=CN=1)OCCOC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 215
- Topological Polar Surface Area: 31.4
Experimental Properties
- Density: 1.237±0.06 g/cm3(Predicted)
- Boiling Point: 386.0±32.0 °C(Predicted)
- pka: 1.56±0.31(Predicted)
4-(2-methoxyethoxy)-1-chloroisoquinoline Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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