Cas no 834884-18-3 (4-Quinolinecarboxylic acid, 2-bromo-3-fluoro-5,7-dimethyl-)
834884-18-3 structure
Product Name:4-Quinolinecarboxylic acid, 2-bromo-3-fluoro-5,7-dimethyl-
CAS No:834884-18-3
MF:C12H9BrFNO2
MW:298.10776591301
CID:670751
PubChem ID:12189481
Update Time:2025-04-19
4-Quinolinecarboxylic acid, 2-bromo-3-fluoro-5,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Quinolinecarboxylic acid, 2-bromo-3-fluoro-5,7-dimethyl-
- 2-bromo-3-fluoro-5,7-dimethylquinoline-4-carboxylic acid
- 834884-18-3
- DTXSID20479754
- AKOS024263607
-
- Inchi： 1S/C12H9BrFNO2/c1-5-3-6(2)8-7(4-5)15-11(13)10(14)9(8)12(16)17/h3-4H,1-2H3,(H,16,17)
- InChI Key： BGLPIPQHETVTAT-UHFFFAOYSA-N
- SMILES： BrC1=C(C(C(=O)O)=C2C(C=C(C)C=C2C)=N1)F
Computed Properties
- Exact Mass: 296.98007g/mol
- Monoisotopic Mass: 296.98007g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 315
- 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: 3.6
- Topological Polar Surface Area: 50.2?2
4-Quinolinecarboxylic acid, 2-bromo-3-fluoro-5,7-dimethyl- Related Literature
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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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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
834884-18-3 (4-Quinolinecarboxylic acid, 2-bromo-3-fluoro-5,7-dimethyl-) Related Products
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