Cas no 1258622-81-9 (3-(4-Carboxy-3-fluorophenyl)isonicotinic acid)
1258622-81-9 structure
Product Name:3-(4-Carboxy-3-fluorophenyl)isonicotinic acid
CAS No:1258622-81-9
MF:C13H8FNO4
MW:261.205327033997
CID:2760939
PubChem ID:53223819
Update Time:2025-04-21
3-(4-Carboxy-3-fluorophenyl)isonicotinic acid Chemical and Physical Properties
Names and Identifiers
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- 1258622-81-9
- 3-(4-Carboxy-3-fluorophenyl)isonicotinic acid, 95%
- DTXSID20687877
- MFCD18085843
- 3-(4-CARBOXY-3-FLUOROPHENYL)ISONICOTINIC ACID
- 3-(4-Carboxy-3-fluorophenyl)isonicotinic acid
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- Inchi： 1S/C13H8FNO4/c14-11-5-7(1-2-9(11)13(18)19)10-6-15-4-3-8(10)12(16)17/h1-6H,(H,16,17)(H,18,19)
- InChI Key： GYBWXAIEHDQPSD-UHFFFAOYSA-N
- SMILES： FC1=C(C(=O)O)C=CC(=C1)C1C=NC=CC=1C(=O)O
Computed Properties
- Exact Mass: 261.04373590Da
- Monoisotopic Mass: 261.04373590Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 363
- 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: 1.6
- Topological Polar Surface Area: 87.5?2
3-(4-Carboxy-3-fluorophenyl)isonicotinic acid Related Literature
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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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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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