Cas no 85273-99-0 (Quinoline, 2-chloro-3-(4-fluorophenyl)-)
85273-99-0 structure
Product Name:Quinoline, 2-chloro-3-(4-fluorophenyl)-
CAS No:85273-99-0
MF:C15H9ClFN
MW:257.690066099167
CID:664754
PubChem ID:13200183
Update Time:2024-03-02
Quinoline, 2-chloro-3-(4-fluorophenyl)- Chemical and Physical Properties
Names and Identifiers
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- Quinoline, 2-chloro-3-(4-fluorophenyl)-
- 2-chloro-3-(4-fluorophenyl)quinoline
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- Inchi： 1S/C15H9ClFN/c16-15-13(10-5-7-12(17)8-6-10)9-11-3-1-2-4-14(11)18-15/h1-9H
- InChI Key： KRZIUCWIMUOCTD-UHFFFAOYSA-N
- SMILES： N1C2C(=CC=CC=2)C=C(C2=CC=C(F)C=C2)C=1Cl
Computed Properties
- Exact Mass: 257.0407551g/mol
- Monoisotopic Mass: 257.0407551g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 278
- 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: 4.9
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- Density: 1.300±0.06 g/cm3(Predicted)
- Melting Point: 80-82 °C
- Boiling Point: 362.1±32.0 °C(Predicted)
- pka: -0.34±0.50(Predicted)
Quinoline, 2-chloro-3-(4-fluorophenyl)- Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
85273-99-0 (Quinoline, 2-chloro-3-(4-fluorophenyl)-) Related Products
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