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Oxychlordane

CAT: 1299-RG-A261880-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A261880-02Size:25 mg
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CAS Number
27304-13-8
Synonyms
(1aS,1bR,2S,5R,5aS,6R,6aR) -2,3,4,5,6,6a,7,7-octachloro-1a,1b,5,5a,6,6a-hexahydro-2H-2,5-methanoindeno[1,2-b]oxirene/ (1aR,1bS,2R,5S,5aR,6S,6aS) -2,3,4,5,6,6a,7,7-octachloro-1a,1b,5,5a,6,6a-hexahydro-2H-2,5-methanoindeno[1,2-b]oxirene
Molecular Formula
C10H4Cl8O
Molecular Weight
423.74
Target Alternative Name
Chlordane
Product Name Synonym
(1aS,1bR,2S,5R,5aS,6R,6aR) -2,3,4,5,6,6a,7,7-octachloro-1a,1b,5,5a,6,6a-hexahydro-2H-2,5-methanoindeno[1,2-b]oxirene/ (1aR,1bS,2R,5S,5aR,6S,6aS) -2,3,4,5,6,6a,7,7-octachloro-1a,1b,5,5a,6,6a-hexahydro-2H-2,5-methanoindeno[1,2-b]oxirene

Chemical Information

Oxychlordane

metabolite of chlordan more toxic to mammals than parent cpd; structure

CAS Number27304-13-8
PubChem CID13785700
IUPAC Name(1R,2S,3R,5S,6S,7R,8S)-1,5,6,8,9,10,11,11-octachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene
Molecular FormulaC10H4Cl8O
Molecular Weight423.7
XLogP4.2
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count19
Formal Charge0
Complexity548
SMILES
[C@H]12[C@H]([C@@H]([C@]3([C@@H]1O3)Cl)Cl)[C@@]4(C(=C([C@]2(C4(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H/t1-,2+,3+,6-,7+,8-,9+/m1/s1
InChIKey
VWGNQYSIWFHEQU-KGEUUOKHSA-N
Chemical Structure
2D Structure
2D structure of Oxychlordane
CAS: 27304-13-8
CID: 13785700
Formula: C10H4Cl8O
MW: 423.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.7
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass423.771136
Monoisotopic Mass419.777036
Topological Polar Surface Area12.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity548
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
sc-478519COxychlordane
461755-01(±) -Oxychlordane
TRC-O870575-1MG(±)-Oxychlordane
OR1076471Rel-Oxychlordane
CS-O-15741Oxychlordane (100 mg/l in Cyclohexane)

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