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Home Other Building Blocks (4-Fluorophenyl)(pyridin-4-yl)methanone

(4-Fluorophenyl)(pyridin-4-yl)methanone

CAS No.:
41538-36-7
Catalog Number:
AG003K3H
Molecular Formula:
C12H8FNO
Molecular Weight:
201.1964
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Product Description
Catalog Number:
AG003K3H
Chemical Name:
(4-Fluorophenyl)(pyridin-4-yl)methanone
CAS Number:
41538-36-7
Molecular Formula:
C12H8FNO
Molecular Weight:
201.1964
MDL Number:
MFCD02683088
IUPAC Name:
(4-fluorophenyl)-pyridin-4-ylmethanone
InChI:
InChI=1S/C12H8FNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H
InChI Key:
WTRWBYGUMQEFFI-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)c1ccncc1
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.059g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.2g/mol
Monoisotopic Mass:
201.059g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis. Journal of medicinal chemistry 20100128
Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. Journal of medicinal chemistry 20090813
Properties