Cas no 678970-17-7 (Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2R,5R,6S,9S,10R)-)
678970-17-7 structure
Product Name:Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2R,5R,6S,9S,10R)-
CAS No:678970-17-7
MF:C12H18Br6
MW:641.695319652557
CID:387642
PubChem ID:11377211
Update Time:2025-04-19
Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2R,5R,6S,9S,10R)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2R,5R,6S,9S,10R)-
- Hexabromocyclododecane, gamma-
- (+/-)-.GAMMA.-HBCD
- (+)-gamma-Hexabromocyclododecane
- .GAMMA.-HBCD [MI]
- 11I055K0BP
- (+/-)-.GAMMA.-HEXABROMOCYCLODODECANE
- UNII-O1Y9J11RMU
- (+/-)-gamma-Hexabromocyclododecane
- DTXSID701016671
- (+)-gamma-Hbcd
- .GAMMA.-HBCD
- (+)-.GAMMA.-HEXABROMOCYCLODODECANE
- .GAMMA.-HEXABROMOCYCLODODECANE, (+/-)-
- gamma-Hexabromocyclododecane
- (1R,2R,5R,6S,9S,10R)-1,2,5,6,9,10-Hexabromocyclododecane
- UNII-11I055K0BP
- .GAMMA.-HEXABROMOCYCLODODECANE, (+)-
- gamma-1,2,5,6,9,10-Hexabromocyclododecane
- gamma-Hexabromocyclododecane, (+)-
- 678970-17-7
- DTXSID20873773
- CYCLODODECANE, 1,2,5,6,9,10-HEXABROMO-, (1R,2R,5R,6S,9S,10R)-REL-
- O1Y9J11RMU
- (1R,2R,5R,6S,9S,10R)-rel-1,2,5,6,9,10-Hexabromocyclododecane
- .GAMMA.-HEXABROMOCYCLODODECANE
- gamma-HBCD
- 134237-52-8
- NS00077006
- (+)-.GAMMA.-HBCD
-
- 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+/m1/s1
- InChI Key： DEIGXXQKDWULML-MOCCIAMBSA-N
- SMILES： Br[C@@H]1CC[C@H]([C@H](CC[C@@H]([C@@H](CC[C@H]1Br)Br)Br)Br)Br
Computed Properties
- Exact Mass: 641.64473g/mol
- Monoisotopic Mass: 635.65088g/mol
- 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,2R,5R,6S,9S,10R)- Related Literature
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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