Cas no 31009-00-4 (7-fluoroquinoline-2,4-dicarboxylic acid)
31009-00-4 structure
Product Name:7-fluoroquinoline-2,4-dicarboxylic acid
CAS No:31009-00-4
MF:C11H6FNO4
MW:235.168046474457
CID:1011544
PubChem ID:53418960
Update Time:2025-04-20
7-fluoroquinoline-2,4-dicarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 7-fluoroquinoline-2,4-dicarboxylic acid
- SCHEMBL16833015
- 31009-00-4
-
- Inchi： 1S/C11H6FNO4/c12-5-1-2-6-7(10(14)15)4-9(11(16)17)13-8(6)3-5/h1-4H,(H,14,15)(H,16,17)
- InChI Key： CBLIRJURPBDLNN-UHFFFAOYSA-N
- SMILES： FC1C=CC2=C(C(=O)O)C=C(C(=O)O)N=C2C=1
Computed Properties
- Exact Mass: 235.02808583g/mol
- Monoisotopic Mass: 235.02808583g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 335
- 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: 1.7
- Topological Polar Surface Area: 87.5?2
7-fluoroquinoline-2,4-dicarboxylic acid Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
31009-00-4 (7-fluoroquinoline-2,4-dicarboxylic acid) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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