Cas no 863549-10-4 (Quinoline,2-chloro-5-(1,3-dioxan-2-yl)-)
863549-10-4 structure
Product Name:Quinoline,2-chloro-5-(1,3-dioxan-2-yl)-
CAS No:863549-10-4
MF:C13H12ClNO2
MW:249.692882537842
CID:718494
PubChem ID:11368686
Update Time:2025-04-19
Quinoline,2-chloro-5-(1,3-dioxan-2-yl)- Chemical and Physical Properties
Names and Identifiers
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- Quinoline,2-chloro-5-(1,3-dioxan-2-yl)-
- Quinoline, 2-chloro-5-(1,3-dioxan-2-yl)- (9CI)
- 2-chloro-5-(1,3-dioxan-2-yl)quinoline
- 863549-10-4
-
- Inchi： 1S/C13H12ClNO2/c14-12-6-5-9-10(3-1-4-11(9)15-12)13-16-7-2-8-17-13/h1,3-6,13H,2,7-8H2
- InChI Key： BUZDHEASUAQYTJ-UHFFFAOYSA-N
- SMILES： ClC1=CC=C2C(C=CC=C2C2OCCCO2)=N1
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-5-(1,3-dioxan-2-yl)- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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