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Home Halogens 4,4'-Dichlorobenzil

4,4'-Dichlorobenzil

CAS No.:
3457-46-3
Catalog Number:
AG007E36
Molecular Formula:
C14H8Cl2O2
Molecular Weight:
279.1181
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$135
- +
5g
95%
In Stock USA
United States
$480
- +
Product Description
Catalog Number:
AG007E36
Chemical Name:
4,4'-Dichlorobenzil
CAS Number:
3457-46-3
Molecular Formula:
C14H8Cl2O2
Molecular Weight:
279.1181
MDL Number:
MFCD00018685
IUPAC Name:
1,2-bis(4-chlorophenyl)ethane-1,2-dione
InChI:
InChI=1S/C14H8Cl2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8H
InChI Key:
XMAWUPHYEABFDR-UHFFFAOYSA-N
SMILES:
O=C(C(=O)c1ccc(cc1)Cl)c1ccc(cc1)Cl
EC Number:
222-387-7
NSC Number:
274
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.99g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.116g/mol
Monoisotopic Mass:
277.99g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  
Literature
Title Journal
Comparison of benzil and trifluoromethyl ketone (TFK)-mediated carboxylesterase inhibition using classical and 3D-quantitative structure-activity relationship analysis. Bioorganic & medicinal chemistry 20090101
Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases. Journal of medicinal chemistry 20050421
Properties