Cas no 851386-27-1 (4,5-Dichloro-6-fluoro-nicotinic acid)
851386-27-1 structure
Product Name:4,5-Dichloro-6-fluoro-nicotinic acid
CAS No:851386-27-1
MF:C6H2Cl2FNO2
MW:209.989983081818
CID:2807638
PubChem ID:12175426
Update Time:2025-04-21
4,5-Dichloro-6-fluoro-nicotinic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarboxylic acid, 4,5-dichloro-6-fluoro-
- 4,5-Dichloro-6-fluoro-nicotinic acid
- AKOS015963095
- DTXSID80479235
- 851386-27-1
-
- Inchi： 1S/C6H2Cl2FNO2/c7-3-2(6(11)12)1-10-5(9)4(3)8/h1H,(H,11,12)
- InChI Key： QRGANIVSJDGNGS-UHFFFAOYSA-N
- SMILES： ClC1C(=C(N=CC=1C(=O)O)F)Cl
Computed Properties
- Exact Mass: 208.9446619g/mol
- Monoisotopic Mass: 208.9446619g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 192
- 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: 2.1
- Topological Polar Surface Area: 50.2?2
4,5-Dichloro-6-fluoro-nicotinic acid Related Literature
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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