Cas no 1261896-75-6 (5-(5-Fluoro-2-methylphenyl)nicotinic acid)
1261896-75-6 structure
Product Name:5-(5-Fluoro-2-methylphenyl)nicotinic acid
CAS No:1261896-75-6
MF:C13H10FNO2
MW:231.222406864166
CID:2761962
PubChem ID:53211424
Update Time:2025-04-21
5-(5-Fluoro-2-methylphenyl)nicotinic acid Chemical and Physical Properties
Names and Identifiers
-
- AKOS005978276
- 5-(5-Fluoro-2-methylphenyl)nicotinic acid, 95%
- 1261896-75-6
- 5-(5-FLUORO-2-METHYLPHENYL)NICOTINIC ACID
- DTXSID40681357
- MFCD16200855
- 5-(5-Fluoro-2-methylphenyl)nicotinic acid
-
- Inchi： 1S/C13H10FNO2/c1-8-2-3-11(14)5-12(8)9-4-10(13(16)17)7-15-6-9/h2-7H,1H3,(H,16,17)
- InChI Key： HGLVCZBNLPONNL-UHFFFAOYSA-N
- SMILES： FC1C=CC(C)=C(C=1)C1C=NC=C(C(=O)O)C=1
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
5-(5-Fluoro-2-methylphenyl)nicotinic acid Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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