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851591-22-5 | Methanone, [2-[[(4-methylphenyl)sulfonyl]oxy]phenyl]phenyl-
CAS No: 851591-22-5 Catalog No: AG004QRP MDL No:
Product Description
Catalog Number:
AG004QRP
Chemical Name:
Methanone, [2-[[(4-methylphenyl)sulfonyl]oxy]phenyl]phenyl-
CAS Number:
851591-22-5
Molecular Formula:
C20H16O4S
Molecular Weight:
352.4036
IUPAC Name:
(2-benzoylphenyl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C20H16O4S/c1-15-11-13-17(14-12-15)25(22,23)24-19-10-6-5-9-18(19)20(21)16-7-3-2-4-8-16/h2-14H,1H3
InChI Key:
FJPOYVFLHRONHD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Oc1ccccc1C(=O)c1ccccc1
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.077g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.404g/mol
Monoisotopic Mass:
352.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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