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Home Halogens Methanone, (4-chlorophenyl)-4-pyridinyl-

Methanone, (4-chlorophenyl)-4-pyridinyl-

CAS No.:
14548-48-2
Catalog Number:
AG001D2V
Molecular Formula:
C12H8ClNO
Molecular Weight:
217.6510
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Product Description
Catalog Number:
AG001D2V
Chemical Name:
Methanone, (4-chlorophenyl)-4-pyridinyl-
CAS Number:
14548-48-2
Molecular Formula:
C12H8ClNO
Molecular Weight:
217.6510
MDL Number:
MFCD00006431
IUPAC Name:
(4-chlorophenyl)-pyridin-4-ylmethanone
InChI:
InChI=1S/C12H8ClNO/c13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10/h1-8H
InChI Key:
YMTFKKLFLLAFNI-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)c1ccncc1
EC Number:
238-587-2
NSC Number:
76045
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.029g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.652g/mol
Monoisotopic Mass:
217.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Antifungal activities of novel non-azole molecules against S. cerevisiae and C. albicans. European journal of medicinal chemistry 20120101
Identification of a novel scaffold for allosteric inhibition of wild type and drug resistant HIV-1 reverse transcriptase by fragment library screening. Journal of medicinal chemistry 20110210
Properties