Home Sulfos 1-(4-difluoromethanesulfonylphenyl)ethan-1-one

1-(4-difluoromethanesulfonylphenyl)ethan-1-one

CAS No.:
1216034-47-7
Catalog Number:
AG01AJ5T
Molecular Formula:
C9H8F2O3S
Molecular Weight:
234.2198
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Product Description
Catalog Number:
AG01AJ5T
Chemical Name:
1-(4-difluoromethanesulfonylphenyl)ethan-1-one
CAS Number:
1216034-47-7
Molecular Formula:
C9H8F2O3S
Molecular Weight:
234.2198
MDL Number:
MFCD13188404
IUPAC Name:
1-[4-(difluoromethylsulfonyl)phenyl]ethanone
InChI:
InChI=1S/C9H8F2O3S/c1-6(12)7-2-4-8(5-3-7)15(13,14)9(10)11/h2-5,9H,1H3
InChI Key:
WPQBHUGZFGZJDS-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)c1ccc(cc1)C(=O)C)F
Properties
Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.016g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.217g/mol
Monoisotopic Mass:
234.016g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties