Alodan

CAT: 0127-BUP09647-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP09647-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2550-75-6

Synonyms

Cyclodan, Nodon, Chlorbicyclen

Purity

=98%

Smiles

ClC12C(Cl)(Cl)C(Cl)(C(CCl)C1CCl)C(Cl)=C2Cl

Chemical Information

Chlorbicyclen

CAS Number	2550-75-6
PubChem CID	92043635
IUPAC Name	(1R,4S)-1,2,3,4,7,7-hexachloro-5,6-bis(chloromethyl)bicyclo[2.2.1]hept-2-ene
Molecular Formula	C9H6Cl8
Molecular Weight	397.8
XLogP	4.7
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	356

SMILES

C(C1C([C@@]2(C(=C([C@]1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CCl)Cl

InChI

InChI=1S/C9H6Cl8/c10-1-3-4(2-11)8(15)6(13)5(12)7(3,14)9(8,16)17/h3-4H,1-2H2/t3?,4?,7-,8+

InChIKey

FUZORIOHZSVKAW-WINLOITPSA-N

Chemical Structure

2D Structure

CAS: 2550-75-6

CID: 92043635

Formula: C9H6Cl8

MW: 397.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	397.8
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	397.791872
Monoisotopic Mass	393.797772
Topological Polar Surface Area	0 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	356
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19204263-01	Alodan