Cas no 55150-52-2 (1-Chloro-3-ethylisoquinoline)
1-Chloro-3-ethylisoquinoline structure
Product Name:1-Chloro-3-ethylisoquinoline
CAS No:55150-52-2
MF:C11H10ClN
MW:191.656801700592
CID:2185406
PubChem ID:605466
Update Time:2025-04-21
1-Chloro-3-ethylisoquinoline Chemical and Physical Properties
Names and Identifiers
-
- 1-Chloro-3-ethylisoquinoline
- 1-Chloro-3-ethylisoquinoline #
- 3-Ethyl-1-chloroisoquinoline
- AECOSEZBHCJUTO-UHFFFAOYSA-N
- 55150-52-2
- Isoquinoline, 1-chloro-3-ethyl-
- SCHEMBL5261148
- DA-04941
-
- Inchi： 1S/C11H10ClN/c1-2-9-7-8-5-3-4-6-10(8)11(12)13-9/h3-7H,2H2,1H3
- InChI Key： AECOSEZBHCJUTO-UHFFFAOYSA-N
- SMILES： ClC1=C2C=CC=CC2=CC(CC)=N1
Computed Properties
- Exact Mass: 191.0501770Da
- Monoisotopic Mass: 191.0501770Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 171
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 12.9?2
1-Chloro-3-ethylisoquinoline Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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