Cas no 79398-16-6 (Propanoic acid,2-chloro-, butyl ester, (2R)-)
79398-16-6 structure
Product Name:Propanoic acid,2-chloro-, butyl ester, (2R)-
CAS No:79398-16-6
MF:C7H13ClO2
MW:164.629921674728
CID:573323
PubChem ID:13549011
Update Time:2025-04-19
Propanoic acid,2-chloro-, butyl ester, (2R)- Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-chloro-, butyl ester, (2R)-
- Butyl (R)-2-chloropropionate
- NS00090538
- DTXSID001307029
- EINECS 279-148-5
- 79398-16-6
- butyl (2R)-2-chloropropanoate
-
- Inchi： 1S/C7H13ClO2/c1-3-4-5-10-7(9)6(2)8/h6H,3-5H2,1-2H3/t6-/m1/s1
- InChI Key： KATNUXHENWPMQJ-ZCFIWIBFSA-N
- SMILES： Cl[C@H](C)C(=O)OCCCC
Computed Properties
- Exact Mass: 164.060407
- Monoisotopic Mass: 164.060407
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 104
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 2.4
Experimental Properties
- Refractive Index: 1.428
Propanoic acid,2-chloro-, butyl ester, (2R)- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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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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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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