Home Other Building Blocks 2-Chloro-3′,4′-dimethoxybenzil

2-Chloro-3′,4′-dimethoxybenzil

CAS No.:
56159-70-7
Catalog Number:
AG003GV8
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG003GV8
Chemical Name:
2-Chloro-3′,4′-dimethoxybenzil
CAS Number:
56159-70-7
MDL Number:
MFCD00037469
IUPAC Name:
1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethane-1,2-dione
InChI:
InChI=1S/C16H13ClO4/c1-20-13-8-7-10(9-14(13)21-2)15(18)16(19)11-5-3-4-6-12(11)17/h3-9H,1-2H3
InChI Key:
ULVSCSFZMZRZHJ-UHFFFAOYSA-N
Properties
Complexity:
385  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.05g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.726g/mol
Monoisotopic Mass:
304.05g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
2-(2-Chloro-phen-yl)-3-(3,4-dimeth-oxy-phen-yl)quinoxaline. Acta crystallographica. Section E, Structure reports online 20100801
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