Home Halogens Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-

Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-

CAS No.:
115-28-6
Catalog Number:
AG000FJS
Molecular Formula:
C9H4Cl6O4
Molecular Weight:
388.8437
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>98.0%(T)
1 week
United States
$169
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Product Description
Catalog Number:
AG000FJS
Chemical Name:
Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-
CAS Number:
115-28-6
Molecular Formula:
C9H4Cl6O4
Molecular Weight:
388.8437
MDL Number:
MFCD00167589
IUPAC Name:
1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
InChI:
InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)
InChI Key:
DJKGDNKYTKCJKD-UHFFFAOYSA-N
SMILES:
OC(=O)C1C(C(=O)O)C2(C(C1(Cl)C(=C2Cl)Cl)(Cl)Cl)Cl
EC Number:
204-078-9
Properties
Complexity:
487  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.821g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
388.827g/mol
Monoisotopic Mass:
385.824g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
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Hepatic microRNA profiles offer predictive and mechanistic insights after exposure to genotoxic and epigenetic hepatocarcinogens. Toxicological sciences : an official journal of the Society of Toxicology 20120801
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Chlorendic acid. Report on carcinogens : carcinogen profiles 20040101
Prediction of rodent nongenotoxic carcinogenesis: evaluation of biochemical and tissue changes in rodents following exposure to nine nongenotoxic NTP carcinogens. Environmental health perspectives 20020401
Chlorendic acid. Report on carcinogens : carcinogen profiles 20020101
Reversible alteration in the expression of the gap junctional protein connexin 32 during tumor promotion in rat liver and its role during cell proliferation. Cancer communications 19900101
Use of rat liver altered focus models for testing chemicals that have completed two-year carcinogenicity studies. Toxicologic pathology 19890101
Properties