Cas no 140663-07-6 (3,5-Dibromo-4-oxo-valeric acid methyl ester)
140663-07-6 structure
Product Name:3,5-Dibromo-4-oxo-valeric acid methyl ester
CAS No:140663-07-6
MF:C6H8Br2O3
MW:287.933920860291
CID:867801
Update Time:2023-08-03
3,5-Dibromo-4-oxo-valeric acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3,5-dibromo-4-oxo-valeric acid methyl ester
- GHDRNKQSJBQRAJ-UHFFFAOYSA-N
- 3,5-dibromolevulinic acid methyl ester
- 3,5-Dibromo-4-oxopentanoic acid methyl ester
- 3,5-Dibromo-4-oxo-valeric acid methyl ester
-
- Inchi： 1S/C6H8Br2O3/c1-11-6(10)2-4(8)5(9)3-7/h4H,2-3H2,1H3
- InChI Key： GHDRNKQSJBQRAJ-UHFFFAOYSA-N
- SMILES： BrC(C(CBr)=O)CC(=O)OC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 158
- Topological Polar Surface Area: 43.4
3,5-Dibromo-4-oxo-valeric acid methyl ester 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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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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