Cas no 161373-45-1 (3-Cinnolinecarboxylicacid, 4-amino-8-fluoro-)
161373-45-1 structure
Product Name:3-Cinnolinecarboxylicacid, 4-amino-8-fluoro-
CAS No:161373-45-1
MF:C9H6FN3O2
MW:207.161244869232
CID:181400
PubChem ID:3074776
Update Time:2025-04-19
3-Cinnolinecarboxylicacid, 4-amino-8-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- 3-Cinnolinecarboxylicacid, 4-amino-8-fluoro-
- 4-amino-8-fluorocinnoline-3-carboxylic acid
- 3-Cinnolinecarboxylicacid,4-amino-8-fluoro-(9CI)
- 3-Cinnolinecarboxylic acid, 4-amino-8-fluoro-, hydrate
- 161373-45-1
- 4-Amino-8-fluoro-3-cinnolinecarboxylic acid hydrate
- DTXSID90167131
-
- Inchi： 1S/C9H6FN3O2/c10-5-3-1-2-4-6(11)8(9(14)15)13-12-7(4)5/h1-3H,(H2,11,12)(H,14,15)
- InChI Key： NOIHXHCMSBSYKZ-UHFFFAOYSA-N
- SMILES： FC1=CC=CC2=C1N=NC(C(=O)O)=C2N
Computed Properties
- Exact Mass: 225.05504
- Monoisotopic Mass: 207.04440460g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 264
- 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: 1
- Topological Polar Surface Area: 89.1?2
Experimental Properties
- PSA: 120.6
3-Cinnolinecarboxylicacid, 4-amino-8-fluoro- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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