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87625-86-3 | 1-Butanone, 1-phenyl-4,4-bis(phenylsulfonyl)-
CAS No: 87625-86-3 Catalog No: AG004HW4 MDL No:
Product Description
Catalog Number:
AG004HW4
Chemical Name:
1-Butanone, 1-phenyl-4,4-bis(phenylsulfonyl)-
CAS Number:
87625-86-3
Molecular Formula:
C22H20O5S2
Molecular Weight:
428.5212
IUPAC Name:
4,4-bis(benzenesulfonyl)-1-phenylbutan-1-one
InChI:
InChI=1S/C22H20O5S2/c23-21(18-10-4-1-5-11-18)16-17-22(28(24,25)19-12-6-2-7-13-19)29(26,27)20-14-8-3-9-15-20/h1-15,22H,16-17H2
InChI Key:
FUPJWNYREMUSCH-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CCC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
679
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.075g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.517g/mol
Monoisotopic Mass:
428.075g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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