Cas no 117201-02-2 (Quinoline,4-ethoxy-5,6-difluoro-)
117201-02-2 structure
Product Name:Quinoline,4-ethoxy-5,6-difluoro-
CAS No:117201-02-2
MF:C11H9F2NO
MW:209.192069768906
CID:131517
PubChem ID:14303489
Update Time:2025-04-19
Quinoline,4-ethoxy-5,6-difluoro- Chemical and Physical Properties
Names and Identifiers
-
- Quinoline,4-ethoxy-5,6-difluoro-
- Quinoline, 4-ethoxy-5,6-difluoro- (9CI)
- 4-Ethoxy-5,6-difluoroquinoline
- 117201-02-2
-
- Inchi： 1S/C11H9F2NO/c1-2-15-9-5-6-14-8-4-3-7(12)11(13)10(8)9/h3-6H,2H2,1H3
- InChI Key： PBRORJHFTVUPML-UHFFFAOYSA-N
- SMILES： FC1=C(C=CC2C1=C(C=CN=2)OCC)F
Computed Properties
- Exact Mass: 209.06527
- Monoisotopic Mass: 209.06522023g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 215
- 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: 2.7
- Topological Polar Surface Area: 22.1?2
Experimental Properties
- PSA: 22.12
Quinoline,4-ethoxy-5,6-difluoro- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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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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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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