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Home Halogens 1,4-Methanonaphthalene-5,8-dione, 1,2,3,4,9,9-hexachloro-1,4,4a,8a-tetrahydro-

1,4-Methanonaphthalene-5,8-dione, 1,2,3,4,9,9-hexachloro-1,4,4a,8a-tetrahydro-

CAS No.:
2591-92-6
Catalog Number:
AG002R03
Molecular Formula:
C11H4Cl6O2
Molecular Weight:
380.8663
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$148
- +
5g
1 week
United States
$384
- +
10g
1 week
United States
$694
- +
25g
1 week
United States
$1327
- +
Product Description
Catalog Number:
AG002R03
Chemical Name:
1,4-Methanonaphthalene-5,8-dione, 1,2,3,4,9,9-hexachloro-1,4,4a,8a-tetrahydro-
CAS Number:
2591-92-6
Molecular Formula:
C11H4Cl6O2
Molecular Weight:
380.8663
MDL Number:
MFCD00213578
IUPAC Name:
1,8,9,10,11,11-hexachlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
InChI:
InChI=1S/C11H4Cl6O2/c12-7-8(13)10(15)6-4(19)2-1-3(18)5(6)9(7,14)11(10,16)17/h1-2,5-6H
InChI Key:
NLQWHIOPRSWUAS-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)C2C1C1(Cl)C(=C(C2(C1(Cl)Cl)Cl)Cl)Cl
Properties
Complexity:
546  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.831g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.851g/mol
Monoisotopic Mass:
377.834g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties