Cas no 1261900-39-3 (4-(2-Fluoro-4-methylphenyl)nicotinic acid)
1261900-39-3 structure
Product Name:4-(2-Fluoro-4-methylphenyl)nicotinic acid
CAS No:1261900-39-3
MF:C13H10FNO2
MW:231.222406864166
CID:2762203
PubChem ID:53229211
Update Time:2025-04-21
4-(2-Fluoro-4-methylphenyl)nicotinic acid Chemical and Physical Properties
Names and Identifiers
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- DTXSID10692470
- 4-(2-Fluoro-4-methylphenyl)nicotinic acid, 95%
- 4-(2-FLUORO-4-METHYLPHENYL)NICOTINIC ACID
- MFCD18323377
- 1261900-39-3
- 4-(2-Fluoro-4-methylphenyl)nicotinic acid
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- Inchi： 1S/C13H10FNO2/c1-8-2-3-10(12(14)6-8)9-4-5-15-7-11(9)13(16)17/h2-7H,1H3,(H,16,17)
- InChI Key： LTSMEDSDWGJAOA-UHFFFAOYSA-N
- SMILES： FC1C=C(C)C=CC=1C1C=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-(2-Fluoro-4-methylphenyl)nicotinic acid Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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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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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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