Cas no 169102-57-2 (Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2S,5S,6S,9S,10R)-)
169102-57-2 structure
Product Name:Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2S,5S,6S,9S,10R)-
CAS No:169102-57-2
MF:C12H18Br6
MW:641.695319652557
CID:2781595
PubChem ID:71350230
Update Time:2025-04-21
Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2S,5S,6S,9S,10R)- Chemical and Physical Properties
Names and Identifiers
-
- UNII-S55537N9ZC
- Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2S,5S,6S,9S,10R)-
- (-)-.GAMMA.-HBCD
- .GAMMA.-HEXABROMOCYCLODODECANE, (-)-
- (-)-.GAMMA.-HEXABROMOCYCLODODECANE
- gamma-Hexabromocyclododecane, (-)-
- (1R,2S,5S,6S,9S,10R)-1,2,5,6,9,10-Hexabromocyclododecane
- (-)-gamma-Hbcd
- (-)-gamma-Hexabromocyclododecane
- Q27288623
- 169102-57-2
- DTXSID80776039
- S55537N9ZC
-
- Inchi： 1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2/t7-,8-,9-,10+,11-,12+/m0/s1
- InChI Key： DEIGXXQKDWULML-IQMQYZSSSA-N
- SMILES： Br[C@H]1[C@H](CC[C@@H]([C@H](CC[C@@H]([C@@H](CC1)Br)Br)Br)Br)Br
Computed Properties
- Exact Mass: 641.64473Da
- Monoisotopic Mass: 635.65088Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 175
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.1
- Topological Polar Surface Area: 0?2
Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2S,5S,6S,9S,10R)- Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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