Home Sulfos 1-(3-trifluoromethanesulfonylphenyl)ethan-1-one

1-(3-trifluoromethanesulfonylphenyl)ethan-1-one

CAS No.:
1100768-01-1
Catalog Number:
AG01BJ8G
Molecular Formula:
C9H7F3O3S
Molecular Weight:
252.2103
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Product Description
Catalog Number:
AG01BJ8G
Chemical Name:
1-(3-trifluoromethanesulfonylphenyl)ethan-1-one
CAS Number:
1100768-01-1
Molecular Formula:
C9H7F3O3S
Molecular Weight:
252.2103
MDL Number:
MFCD25460316
IUPAC Name:
1-[3-(trifluoromethylsulfonyl)phenyl]ethanone
InChI:
InChI=1S/C9H7F3O3S/c1-6(13)7-3-2-4-8(5-7)16(14,15)9(10,11)12/h2-5H,1H3
InChI Key:
DVVJIVHTJLTFKN-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccc(c1)S(=O)(=O)C(F)(F)F
Properties
Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.007g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.207g/mol
Monoisotopic Mass:
252.007g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties