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Home Other Building Blocks 1-(4-Chlorophenyl)-2-phenylethane-1,2-dione

1-(4-Chlorophenyl)-2-phenylethane-1,2-dione

CAS No.:
22711-23-5
Catalog Number:
AG003L6L
Molecular Formula:
C14H9ClO2
Molecular Weight:
244.6731
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Product Description
Catalog Number:
AG003L6L
Chemical Name:
1-(4-Chlorophenyl)-2-phenylethane-1,2-dione
CAS Number:
22711-23-5
Molecular Formula:
C14H9ClO2
Molecular Weight:
244.6731
MDL Number:
MFCD00013646
IUPAC Name:
1-(4-chlorophenyl)-2-phenylethane-1,2-dione
InChI:
InChI=1S/C14H9ClO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9H
InChI Key:
QDCKVAZDINMMHO-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)C(=O)c1ccccc1
EC Number:
245-169-3
Properties
Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.029g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.674g/mol
Monoisotopic Mass:
244.029g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
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