Home Sulfos 2,6-difluoro-3-(Methylsulfonyl)benzoic acid

2,6-difluoro-3-(Methylsulfonyl)benzoic acid

CAS No.:
845617-17-6
Catalog Number:
AG00G9XB
Molecular Formula:
C8H6F2O4S
Molecular Weight:
236.1926
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Product Description
Catalog Number:
AG00G9XB
Chemical Name:
2,6-difluoro-3-(Methylsulfonyl)benzoic acid
CAS Number:
845617-17-6
Molecular Formula:
C8H6F2O4S
Molecular Weight:
236.1926
MDL Number:
MFCD11179943
IUPAC Name:
2,6-difluoro-3-methylsulfonylbenzoic acid
InChI:
InChI=1S/C8H6F2O4S/c1-15(13,14)5-3-2-4(9)6(7(5)10)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
IZGWQDLOGJHGFQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)ccc(c1F)S(=O)(=O)C
Properties
Complexity:
348  
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:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties