Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2S,5R,6S,9S,10S)-

Base Information

• Chemical Name: Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2S,5R,6S,9S,10S)-
• CAS No.: 678970-16-6
• Molecular Formula: C12H18Br6
• Molecular Weight: 641.69500
• UNII: 5JE712TFO8
• DSSTox Substance ID: DTXSID30467127
• Nikkaji Number: J2.139.959K
• Wikidata: Q27262436
• Mol file: 678970-16-6.mol

Synonyms:(+)-beta-Hbcd;(+)-beta-Hexabromocyclododecane;678970-16-6;UNII-5JE712TFO8;Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2S,5R,6S,9S,10S)-;5JE712TFO8;beta-Hexabromocyclododecane, (+)-;(+)-.BETA.-HBCD;DTXSID30467127;(+)-.BETA.-HEXABROMOCYCLODODECANE;.BETA.-HEXABROMOCYCLODODECANE, (+)-;Q27262436

Chemical Property of Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2S,5R,6S,9S,10S)-

Chemical Property:

• PSA: 0.00000
• LogP: 6.92160
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 641.64473
• Heavy Atom Count: 18
• Complexity: 175

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br
• Isomeric SMILES: C1C[C@@H]([C@@H](CC[C@@H]([C@H](CC[C@@H]([C@@H]1Br)Br)Br)Br)Br)Br