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100257-46-3 | Ethanone, 1-[4-(butylsulfonyl)phenyl]-
CAS No: 100257-46-3 Catalog No: AG0001ES MDL No:
Product Description
Catalog Number:
AG0001ES
Chemical Name:
Ethanone, 1-[4-(butylsulfonyl)phenyl]-
CAS Number:
100257-46-3
Molecular Formula:
C12H16O3S
Molecular Weight:
240.3186
IUPAC Name:
2-butylsulfonyl-1-phenylethanone
InChI:
InChI=1S/C12H16O3S/c1-2-3-9-16(14,15)10-12(13)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChI Key:
OBTOQSASKQKGRK-UHFFFAOYSA-N
SMILES:
CCCCS(=O)(=O)c1ccc(cc1)C(=O)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.317g/mol
Monoisotopic Mass:
240.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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