chempirical

Hexabromocyclododecane

C12H18Br6CAS 3194-55-6641.70 g/mol

Open in Covalent MOL file
BrBrBrBrBrBr
Alkyl halide

Properties

Molecular formula
C12H18Br6
Molar mass
641.70 g/mol
Exact mass
635.6509 Da
Melting point
185–195 °C
logP
6.92Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
3194-55-6
SMILES
BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br
InChIKey
DEIGXXQKDWULML-UHFFFAOYSA-N
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

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Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Cyclododecane, 1,2,5,6,9,10-hexabromo-
  • 1,2,5,6,9,10-Hexabromocyclododecane
  • Bromkal 73-6D
  • YM 88A
  • FR 1206HT
  • FR 1206
  • Pyroguard SR 104
  • SR 104

Work with Hexabromocyclododecane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

trans-1,2-Dibromocyclohexane7429-37-067 % similar 1,2,3,4-Tetrabromobutane1529-68-643 % similar Rel-(2R,3R)-2,3-dibromo-1,4-butanediol1947-58-640 % similar Bromocyclopentane137-43-933 % similar 3,4-Dibromotetrahydrothiophene 1,1-dioxide15091-30-233 % similar Bromocyclobutane4399-47-733 % similar Bromocyclohexane108-85-031 % similar Bromocyclooctane1556-09-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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