Cas no 62595-03-3 (Quinoline, 2-chloro-3-(2-chloroethyl)-8-methoxy-4-methyl-)
62595-03-3 structure
Product Name:Quinoline, 2-chloro-3-(2-chloroethyl)-8-methoxy-4-methyl-
CAS No:62595-03-3
MF:C13H13Cl2NO
MW:270.154421567917
CID:438758
PubChem ID:71384819
Update Time:2025-04-19
Quinoline, 2-chloro-3-(2-chloroethyl)-8-methoxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Quinoline, 2-chloro-3-(2-chloroethyl)-8-methoxy-4-methyl-
- 2-chloro-3-(2-chloroethyl)-8-methoxy-4-methylquinoline
- 62595-03-3
- DTXSID40807070
-
- Inchi： 1S/C13H13Cl2NO/c1-8-9-4-3-5-11(17-2)12(9)16-13(15)10(8)6-7-14/h3-5H,6-7H2,1-2H3
- InChI Key： RQFHTQBAVNVXEY-UHFFFAOYSA-N
- SMILES： ClC1=C(CCCl)C(C)=C2C=CC=C(C2=N1)OC
Computed Properties
- Exact Mass: 269.03759
- Monoisotopic Mass: 269.0374194g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 252
- 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: 4.3
- Topological Polar Surface Area: 22.1?2
Experimental Properties
- PSA: 22.12
Quinoline, 2-chloro-3-(2-chloroethyl)-8-methoxy-4-methyl- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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