Home Sulfos 3-trifluoromethanesulfonylbenzoic acid

3-trifluoromethanesulfonylbenzoic acid

CAS No.:
952-69-2
Catalog Number:
AG01B584
Molecular Formula:
C8H5F3O4S
Molecular Weight:
254.1831
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Product Description
Catalog Number:
AG01B584
Chemical Name:
3-trifluoromethanesulfonylbenzoic acid
CAS Number:
952-69-2
Molecular Formula:
C8H5F3O4S
Molecular Weight:
254.1831
MDL Number:
MFCD00766763
IUPAC Name:
3-(trifluoromethylsulfonyl)benzoic acid
InChI:
InChI=1S/C8H5F3O4S/c9-8(10,11)16(14,15)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChI Key:
BUXMJMHFPYNLAJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)S(=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:
1.8  
Properties