Cas no 129486-81-3 (Ethanone,2-chloro-1-(8-quinolinyl)-)
129486-81-3 structure
Product Name:Ethanone,2-chloro-1-(8-quinolinyl)-
CAS No:129486-81-3
MF:C11H8ClNO
MW:205.640321731567
CID:102956
PubChem ID:14722778
Update Time:2025-04-18
Ethanone,2-chloro-1-(8-quinolinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,2-chloro-1-(8-quinolinyl)-
- 2-chloro-1-quinolin-8-ylethanone
- Ethanone, 2-chloro-1-(8-quinolinyl)-
- 129486-81-3
- DQVZSJJKBMELPE-UHFFFAOYSA-N
- AKOS018707597
- 2-Chloro-1-quinolin-8-yl-ethanone
- 2-Chloro-1-(quinolin-8-yl)ethanone
- SCHEMBL3886554
-
- Inchi： 1S/C11H8ClNO/c12-7-10(14)9-5-1-3-8-4-2-6-13-11(8)9/h1-6H,7H2
- InChI Key： DQVZSJJKBMELPE-UHFFFAOYSA-N
- SMILES： ClCC(C1=CC=CC2=CC=CN=C21)=O
Computed Properties
- Exact Mass: 205.02954
- Monoisotopic Mass: 205.0294416g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 219
- 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: 2.1
- Topological Polar Surface Area: 30?2
Experimental Properties
- PSA: 29.96
Ethanone,2-chloro-1-(8-quinolinyl)- Related Literature
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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