Cas no 1261917-65-0 (4-(3-Fluoro-2-methylphenyl)nicotinic acid)
1261917-65-0 structure
Product Name:4-(3-Fluoro-2-methylphenyl)nicotinic acid
CAS No:1261917-65-0
MF:C13H10FNO2
MW:231.222406864166
CID:2763348
PubChem ID:53229219
Update Time:2025-04-21
4-(3-Fluoro-2-methylphenyl)nicotinic acid Chemical and Physical Properties
Names and Identifiers
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- 1261917-65-0
- DTXSID70692476
- MFCD18323385
- 4-(3-Fluoro-2-methylphenyl)nicotinic acid, 95%
- 4-(3-FLUORO-2-METHYLPHENYL)NICOTINIC ACID
- 4-(3-Fluoro-2-methylphenyl)nicotinic acid
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- Inchi: 1S/C13H10FNO2/c1-8-9(3-2-4-12(8)14)10-5-6-15-7-11(10)13(16)17/h2-7H,1H3,(H,16,17)
- InChI Key: HVNHUSKJFZBRJN-UHFFFAOYSA-N
- SMILES: FC1=CC=CC(=C1C)C1C=CN=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
4-(3-Fluoro-2-methylphenyl)nicotinic acid Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Jason Wan Lab Chip, 2020,20, 4528-4538
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