Home Sulfos 2-trifluoromethanesulfonylbenzoic acid

2-trifluoromethanesulfonylbenzoic acid

CAS No.:
79676-59-8
Catalog Number:
AG019MU0
Molecular Formula:
C8H5F3O4S
Molecular Weight:
254.1831
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Product Description
Catalog Number:
AG019MU0
Chemical Name:
2-trifluoromethanesulfonylbenzoic acid
CAS Number:
79676-59-8
Molecular Formula:
C8H5F3O4S
Molecular Weight:
254.1831
MDL Number:
MFCD11099525
IUPAC Name:
2-(trifluoromethylsulfonyl)benzoic acid
InChI:
InChI=1S/C8H5F3O4S/c9-8(10,11)16(14,15)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)
InChI Key:
ABBAPQUJOVTVPJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1S(=O)(=O)C(F)(F)F
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.986g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.179g/mol
Monoisotopic Mass:
253.986g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties