Cas no 35878-05-8 (5-Bromo-2-methyl-1,3-dioxane)
5-Bromo-2-methyl-1,3-dioxane structure
Product Name:5-Bromo-2-methyl-1,3-dioxane
CAS No:35878-05-8
MF:C5H9BrO2
MW:181.027761220932
CID:2665794
Update Time:2023-08-06
5-Bromo-2-methyl-1,3-dioxane Chemical and Physical Properties
Names and Identifiers
-
- 5β-Bromo-2α-methyl-1,3-dioxane
- 5-Bromo-2-methyl-1,3-dioxane
- 1,3-Dioxane, 5-bromo-2-methyl-, trans-
- UHOOGMASJKXTJZ-URHBZAFASA-N
- 5-Bromo-2-methyl-1,3-dioxane #
- 5beta-Bromo-2alpha-methyl-1,3-dioxane
-
- Inchi： 1S/C5H9BrO2/c1-4-7-2-5(6)3-8-4/h4-5H,2-3H2,1H3
- InChI Key： UHOOGMASJKXTJZ-UHFFFAOYSA-N
- SMILES： BrC1COC(C)OC1
Computed Properties
- Exact Mass: 179.979
- Monoisotopic Mass: 179.979
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 68.8
- 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
- Topological Polar Surface Area: 18.5
5-Bromo-2-methyl-1,3-dioxane Related Literature
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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