CAS 1235106-66-7 | Cyclododecane, 1,1,2,2,3,3-hexabromo- | CAS Number 1235106-66-7

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1235106-66-7 | Cyclododecane, 1,1,2,2,3,3-hexabromo-

CAS No: 1235106-66-7 Catalog No: AG000KPY MDL No:MFCD23135522

Product Description

Catalog Number:

AG000KPY

Chemical Name:

Cyclododecane, 1,1,2,2,3,3-hexabromo-

CAS Number:

1235106-66-7

Molecular Formula:

C12H18Br6

Molecular Weight:

641.6953

MDL Number:

MFCD23135522

IUPAC Name:

1,1,2,2,3,3-hexabromocyclododecane

InChI:

InChI=1S/C12H18Br6/c13-10(14)8-6-4-2-1-3-5-7-9-11(15,16)12(10,17)18/h1-9H2

InChI Key:

SHRRVNVEOIKVSG-UHFFFAOYSA-N

SMILES:

BrC1(Br)C(Br)(Br)CCCCCCCCCC1(Br)Br

EC Number:

247-148-4

Properties

Complexity:

237

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

641.645g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

641.7g/mol

Monoisotopic Mass:

635.651g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

8.6

Literature

Title	Journal
[Polybrominated diphenyl ethers: sources of exposure and expected health effects].	Medycyna pracy 20120101
Cerebral gene expression and neurobehavioural development after perinatal exposure to an environmentally relevant polybrominated diphenylether (BDE47).	Cell biology and toxicology 20111001
Bone mineral density changes in relation to environmental PCB exposure.	Environmental health perspectives 20080901
Children show highest levels of polybrominated diphenyl ethers in a California family of four: a case study.	Environmental health perspectives 20061001