Cas no 78202-45-6 (7-Fluoroquinoline-4-carboxylic acid)
78202-45-6 structure
Product Name:7-Fluoroquinoline-4-carboxylic acid
CAS No:78202-45-6
MF:C10H6FNO2
MW:191.158545970917
CID:534871
Update Time:2023-08-03
7-Fluoroquinoline-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 4-Pyrimidinecarboxylic acid,5-(chloromethyl)-1,2,3,6-tetrahydro-2,6-dioxo-, ethyl ester
- 7-FLUOROQUINOLINE-4-CARBOXYLIC ACID
- 4-Quinolinecarboxylic acid, 7-fluoro-
- AB0048522
- 7-Fluoroquinoline-4-carboxylic acid
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- Inchi： 1S/C10H6FNO2/c11-6-1-2-7-8(10(13)14)3-4-12-9(7)5-6/h1-5H,(H,13,14)
- InChI Key： QIRLJMJLJXBUMP-UHFFFAOYSA-N
- SMILES： FC1C=CC2=C(C(=O)O)C=CN=C2C=1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 234
- XLogP3: 1.9
- Topological Polar Surface Area: 50.2
7-Fluoroquinoline-4-carboxylic acid Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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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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