sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens Benzene,1,1'-(2,2-dichloroethenylidene)bis[4-methoxy-

Benzene,1,1'-(2,2-dichloroethenylidene)bis[4-methoxy-

CAS No.:
2132-70-9
Catalog Number:
AG007QSZ
Molecular Formula:
C16H14Cl2O2
Molecular Weight:
309.1872
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG007QSZ
Chemical Name:
Benzene,1,1'-(2,2-dichloroethenylidene)bis[4-methoxy-
CAS Number:
2132-70-9
Molecular Formula:
C16H14Cl2O2
Molecular Weight:
309.1872
MDL Number:
MFCD00155432
IUPAC Name:
1-[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]-4-methoxybenzene
InChI:
InChI=1S/C16H14Cl2O2/c1-19-13-7-3-11(4-8-13)15(16(17)18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3
InChI Key:
YCRYSVKEWAWTGI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=C(Cl)Cl)c1ccc(cc1)OC
NSC Number:
97452
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.037g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.186g/mol
Monoisotopic Mass:
308.037g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  
Literature
Title Journal
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
Biodegradation of methoxychlor and its metabolites by the white rot fungus Stereum hirsutum related to the inactivation of estrogenic activity. Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes 20060101
Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals. Journal of medicinal chemistry 20050908
Structure-activity relationships for a large diverse set of natural, synthetic, and environmental estrogens. Chemical research in toxicology 20010301
Properties