Cas no 1394346-66-7 (2-Chloro-5-((2-fluoro-phenyl)amino)-benzoic acid)
1394346-66-7 structure
Product Name:2-Chloro-5-((2-fluoro-phenyl)amino)-benzoic acid
CAS No:1394346-66-7
MF:C13H9ClFNO2
MW:265.667465925217
CID:2140762
Update Time:2023-08-04
2-Chloro-5-((2-fluoro-phenyl)amino)-benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 2-chloro-5-((2-fluoro-phenyl)amino)-benzoic acid
- 2-Chloro-5-((2-fluoro-phenyl)amino)-benzoic acid
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- Inchi： 1S/C13H9ClFNO2/c14-10-6-5-8(7-9(10)13(17)18)16-12-4-2-1-3-11(12)15/h1-7,16H,(H,17,18)
- InChI Key： RRGJDNJPUAQCAH-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1C(=O)O)NC1C=CC=CC=1F
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 303
- XLogP3: 5.1
- Topological Polar Surface Area: 49.3
2-Chloro-5-((2-fluoro-phenyl)amino)-benzoic acid Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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