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169102-57-2 | Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2S,5S,6S,9S,10R)-
CAS No: 169102-57-2 Catalog No: AG001YGV MDL No:
Product Description
Catalog Number:
AG001YGV
Chemical Name:
Cyclododecane, 1,2,5,6,9,10-hexabromo-, (1R,2S,5S,6S,9S,10R)-
CAS Number:
169102-57-2
Molecular Formula:
C12H18Br6
Molecular Weight:
641.6953
IUPAC Name:
(1R,2S,5S,6S,9S,10R)-1,2,5,6,9,10-hexabromocyclododecane
InChI:
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]1CC[C@@H](Br)[C@@H](Br)CC[C@@H]([C@H](CC[C@@H]1Br)Br)Br
UNII:
S55537N9ZC
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
641.645g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
641.7g/mol
Monoisotopic Mass:
635.651g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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