Cas no 863549-12-6 (Quinoline,2-chloro-7-(1,3-dioxan-2-yl)-)
863549-12-6 structure
Product Name:Quinoline,2-chloro-7-(1,3-dioxan-2-yl)-
CAS No:863549-12-6
MF:C13H12ClNO2
MW:249.692882537842
CID:718495
PubChem ID:11311247
Update Time:2025-04-19
Quinoline,2-chloro-7-(1,3-dioxan-2-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Quinoline,2-chloro-7-(1,3-dioxan-2-yl)-
- Quinoline, 2-chloro-7-(1,3-dioxan-2-yl)- (9CI)
- 2-chloro-7-(1,3-dioxan-2-yl)quinoline
- Quinoline,2-chloro-7-(1,3-dioxan-2-yl)-(9ci)
- 863549-12-6
-
- Inchi： 1S/C13H12ClNO2/c14-12-5-4-9-2-3-10(8-11(9)15-12)13-16-6-1-7-17-13/h2-5,8,13H,1,6-7H2
- InChI Key： IXKAYYYZWIWWIU-UHFFFAOYSA-N
- SMILES： ClC1=CC=C2C=CC(=CC2=N1)C1OCCCO1
Computed Properties
- Exact Mass: 249.0556563g/mol
- Monoisotopic Mass: 249.0556563g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 258
- 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: 2.9
- Topological Polar Surface Area: 31.4?2
Quinoline,2-chloro-7-(1,3-dioxan-2-yl)- Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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