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Home > Pyridines > 178055-98-6
178055-98-6 | Ethanone, 1-[4-(4-pyridinylsulfonyl)phenyl]-
CAS No: 178055-98-6 Catalog No: AG0025QE MDL No:
Product Description
Catalog Number:
AG0025QE
Chemical Name:
Ethanone, 1-[4-(4-pyridinylsulfonyl)phenyl]-
CAS Number:
178055-98-6
Molecular Formula:
C13H11NO3S
Molecular Weight:
261.2963
IUPAC Name:
1-(4-pyridin-4-ylsulfonylphenyl)ethanone
InChI:
InChI=1S/C13H11NO3S/c1-10(15)11-2-4-12(5-3-11)18(16,17)13-6-8-14-9-7-13/h2-9H,1H3
InChI Key:
CFUKOWVYJMAGIL-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)S(=O)(=O)c1ccncc1
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.295g/mol
Monoisotopic Mass:
261.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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