Home Sulfos 2-Fluoro-5-methanesulfonylbenzoic acid

2-Fluoro-5-methanesulfonylbenzoic acid

CAS No.:
247569-56-8
Catalog Number:
AG002PBX
Molecular Formula:
C8H7FO4S
Molecular Weight:
218.2022
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$357
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Product Description
Catalog Number:
AG002PBX
Chemical Name:
2-Fluoro-5-methanesulfonylbenzoic acid
CAS Number:
247569-56-8
Molecular Formula:
C8H7FO4S
Molecular Weight:
218.2022
MDL Number:
MFCD11179900
IUPAC Name:
2-fluoro-5-methylsulfonylbenzoic acid
InChI:
InChI=1S/C8H7FO4S/c1-14(12,13)5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
ACBAHAXPEQHVHO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1F)S(=O)(=O)C
EC Number:
689-137-0
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.005g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.198g/mol
Monoisotopic Mass:
218.005g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties