Cas no 61563-53-9 (Quinoline, 4-chloro-3,5,7-trimethyl-)
61563-53-9 structure
Product Name:Quinoline, 4-chloro-3,5,7-trimethyl-
CAS No:61563-53-9
MF:C12H12ClN
MW:205.683382034302
CID:474720
PubChem ID:12299308
Update Time:2025-04-19
Quinoline, 4-chloro-3,5,7-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Quinoline, 4-chloro-3,5,7-trimethyl-
- 4-chloro-3,5,7-trimethylquinoline
- DTXSID70486190
- 61563-53-9
-
- Inchi: 1S/C12H12ClN/c1-7-4-8(2)11-10(5-7)14-6-9(3)12(11)13/h4-6H,1-3H3
- InChI Key: KRPBOBBDYDQGIA-UHFFFAOYSA-N
- SMILES: ClC1C(C)=CN=C2C=C(C)C=C(C)C2=1
Computed Properties
- Exact Mass: 205.06596
- Monoisotopic Mass: 205.0658271g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 207
- 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: 3.9
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- PSA: 12.89
Quinoline, 4-chloro-3,5,7-trimethyl- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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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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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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