Home Sulfos 2-trifluoromethanesulfonylphenol

2-trifluoromethanesulfonylphenol

CAS No.:
32858-96-1
Catalog Number:
AG01A957
Molecular Formula:
C7H5F3O3S
Molecular Weight:
226.1730
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Product Description
Catalog Number:
AG01A957
Chemical Name:
2-trifluoromethanesulfonylphenol
CAS Number:
32858-96-1
Molecular Formula:
C7H5F3O3S
Molecular Weight:
226.1730
MDL Number:
MFCD16547647
IUPAC Name:
2-(trifluoromethylsulfonyl)phenol
InChI:
InChI=1S/C7H5F3O3S/c8-7(9,10)14(12,13)6-4-2-1-3-5(6)11/h1-4,11H
InChI Key:
XQJFFCCRZYJAKT-UHFFFAOYSA-N
SMILES:
Oc1ccccc1S(=O)(=O)C(F)(F)F
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.991g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.169g/mol
Monoisotopic Mass:
225.991g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties