Cas no 1261904-63-5 (3-(3-Fluoro-4-methylphenyl)isonicotinic acid)
1261904-63-5 structure
Product Name:3-(3-Fluoro-4-methylphenyl)isonicotinic acid
CAS No:1261904-63-5
MF:C13H10FNO2
MW:231.222406864166
CID:2762492
PubChem ID:53222847
Update Time:2025-04-21
3-(3-Fluoro-4-methylphenyl)isonicotinic acid Chemical and Physical Properties
Names and Identifiers
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- 3-(3-Fluoro-4-methylphenyl)isonicotinic acid, 95%
- MFCD18317021
- AKOS017557007
- DTXSID30687186
- 3-(3-FLUORO-4-METHYLPHENYL)ISONICOTINIC ACID
- 1261904-63-5
- 3-(3-Fluoro-4-methylphenyl)isonicotinic acid
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- Inchi： 1S/C13H10FNO2/c1-8-2-3-9(6-12(8)14)11-7-15-5-4-10(11)13(16)17/h2-7H,1H3,(H,16,17)
- InChI Key： HSQCSIKKJUAOFP-UHFFFAOYSA-N
- SMILES： FC1C=C(C=CC=1C)C1C=NC=CC=1C(=O)O
Computed Properties
- Exact Mass: 231.06955672Da
- Monoisotopic Mass: 231.06955672Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 285
- 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: 2.5
- Topological Polar Surface Area: 50.2?2
3-(3-Fluoro-4-methylphenyl)isonicotinic acid Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
1261904-63-5 (3-(3-Fluoro-4-methylphenyl)isonicotinic acid) Related Products
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