Cas no 948291-50-7 (2-chloro-3-(chloromethyl)-8-methyl-quinoline)
948291-50-7 structure
Product Name:2-chloro-3-(chloromethyl)-8-methyl-quinoline
CAS No:948291-50-7
MF:C11H9Cl2N
MW:226.101860761642
CID:870885
PubChem ID:17039801
Update Time:2025-04-19
2-chloro-3-(chloromethyl)-8-methyl-quinoline Chemical and Physical Properties
Names and Identifiers
-
- 2-chloro-3-(chloromethyl)-8-methyl-quinoline
- 2-chloro-3-(chloromethyl)-8-methylquinoline
- 2-CHLORO-3-CHLOROMETHYL-8-METHYLQUINOLINE
- 2-chloro-3-(chloropmethyl)-8-methylquinoline
- 948291-50-7
- AB51941
- MFCD09787666
- SCHEMBL788752
- DTXSID30588987
-
- Inchi： 1S/C11H9Cl2N/c1-7-3-2-4-8-5-9(6-12)11(13)14-10(7)8/h2-5H,6H2,1H3
- InChI Key： AFLRXIHGPHYZBL-UHFFFAOYSA-N
- SMILES： ClC1=C(CCl)C=C2C=CC=C(C)C2=N1
Computed Properties
- Exact Mass: 225.01100
- Monoisotopic Mass: 225.0112047g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 198
- 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
Experimental Properties
- PSA: 12.89000
- LogP: 3.93540
2-chloro-3-(chloromethyl)-8-methyl-quinoline Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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