Cas no 678970-16-6 (Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2S,5R,6S,9S,10S)-)
678970-16-6 structure
Product Name:Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2S,5R,6S,9S,10S)-
CAS No:678970-16-6
MF:C12H18Br6
MW:641.695319652557
CID:387643
PubChem ID:11479239
Update Time:2025-04-19
Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2S,5R,6S,9S,10S)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2S,5R,6S,9S,10S)-
- 5JE712TFO8
- (+)-beta-Hbcd
- Q27262436
- .BETA.-HEXABROMOCYCLODODECANE, (+)-
- beta-Hexabromocyclododecane, (+)-
- DTXSID30467127
- (+)-beta-Hexabromocyclododecane
- UNII-5JE712TFO8
- 678970-16-6
- (+)-.BETA.-HEXABROMOCYCLODODECANE
- (+)-.BETA.-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-/m0/s1
- InChI Key： DEIGXXQKDWULML-WUFAPUTGSA-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: 641.64473g/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,2S,5R,6S,9S,10S)- Related Literature
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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