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3406-03-9 | 2-(PHENYLSULFONYL)ACETOPHENONE
CAS No: 3406-03-9 Catalog No: AG003F41 MDL No:MFCD00025043
Product Description
Catalog Number:
AG003F41
Chemical Name:
2-(PHENYLSULFONYL)ACETOPHENONE
CAS Number:
3406-03-9
Molecular Formula:
C14H12O3S
Molecular Weight:
260.3083
MDL Number:
MFCD00025043
IUPAC Name:
2-(benzenesulfonyl)-1-phenylethanone
InChI:
InChI=1S/C14H12O3S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-10H,11H2
InChI Key:
DREVPGKOIZVPQV-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CS(=O)(=O)c1ccccc1
EC Number:
222-292-0
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.307g/mol
Monoisotopic Mass:
260.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis of Diarylpyrazoles Containing a Phenylsulphone or Carbonitrile Moiety and their Chalcones as Possible Anti-Inflammatory Agents. | Scientia pharmaceutica 20110101 |
| Diels-Alder/thiol-olefin co-oxygenation approach to antimalarials incorporating the 2,3-dioxabicyclo[3.3.1]nonane pharmacophore. | Bioorganic & medicinal chemistry letters 20060601 |
| X-ray investigations of sulfur-containing fungicides. III. Intramolecular forces governing the conformation of a novel orthorhombic polymorph of benzoylmethyl phenyl sulfone, benzoylmethyl 4-chlorophenyl sulfone and benzoylphenylmethyl phenyl sulfone. | Acta crystallographica. Section B, Structural science 20011201 |
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