Home Sulfos 2-difluoromethanesulfonylbenzoic acid

2-difluoromethanesulfonylbenzoic acid

CAS No.:
79676-58-7
Catalog Number:
AG01C3K8
Molecular Formula:
C8H6F2O4S
Molecular Weight:
236.1926
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Product Description
Catalog Number:
AG01C3K8
Chemical Name:
2-difluoromethanesulfonylbenzoic acid
CAS Number:
79676-58-7
Molecular Formula:
C8H6F2O4S
Molecular Weight:
236.1926
MDL Number:
MFCD12094653
IUPAC Name:
2-(difluoromethylsulfonyl)benzoic acid
InChI:
InChI=1S/C8H6F2O4S/c9-8(10)15(13,14)6-4-2-1-3-5(6)7(11)12/h1-4,8H,(H,11,12)
InChI Key:
XLEBSMWWVRWRTM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1S(=O)(=O)C(F)F
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.995g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.189g/mol
Monoisotopic Mass:
235.995g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties