Cas no 5568-49-0 (quinolin-8-yl chloroacetate)
quinolin-8-yl chloroacetate structure
Product Name:quinolin-8-yl chloroacetate
CAS No:5568-49-0
MF:C11H8ClNO2
MW:221.639721870422
CID:944322
PubChem ID:345627
Update Time:2025-04-19
quinolin-8-yl chloroacetate Chemical and Physical Properties
Names and Identifiers
-
- quinolin-8-yl chloroacetate
- quinolin-8-yl 2-chloroacetate
- DTXSID80323204
- NSC-403350
- 5568-49-0
- NSC403350
-
- Inchi: 1S/C11H8ClNO2/c12-7-10(14)15-9-5-1-3-8-4-2-6-13-11(8)9/h1-6H,7H2
- InChI Key: NUCFGSRTIHFHHP-UHFFFAOYSA-N
- SMILES: ClCC(=O)OC1=CC=CC2=CC=CN=C21
Computed Properties
- Exact Mass: 221.02444
- Monoisotopic Mass: 221.024
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 235
- 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: 2.7
- Topological Polar Surface Area: 39.2?2
Experimental Properties
- Density: 1.336
- Boiling Point: 357.4°C at 760 mmHg
- Flash Point: 169.9°C
- Refractive Index: 1.621
- PSA: 39.19
quinolin-8-yl chloroacetate Related Literature
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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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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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