Cas no 86053-13-6 (6-Fluoro-2-methylquinoline-5-carboxylic acid)
86053-13-6 structure
Product Name:6-Fluoro-2-methylquinoline-5-carboxylic acid
CAS No:86053-13-6
MF:C11H8FNO2
MW:205.185126304626
CID:2808948
PubChem ID:13156211
Update Time:2025-04-21
6-Fluoro-2-methylquinoline-5-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- DTXSID70522885
- SCHEMBL9657309
- 86053-13-6
- 6-Fluoro-2-methylquinoline-5-carboxylic acid
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- Inchi： 1S/C11H8FNO2/c1-6-2-3-7-9(13-6)5-4-8(12)10(7)11(14)15/h2-5H,1H3,(H,14,15)
- InChI Key： JWJXOIKQXNUULV-UHFFFAOYSA-N
- SMILES： FC1C=CC2C(=CC=C(C)N=2)C=1C(=O)O
Computed Properties
- Exact Mass: 205.05390666Da
- Monoisotopic Mass: 205.05390666Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 259
- 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: 2.2
- Topological Polar Surface Area: 50.2?2
6-Fluoro-2-methylquinoline-5-carboxylic acid Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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2. 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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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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