Home Sulfos 3-Fluoro-4-methylsulfonylbenzoic acid

3-Fluoro-4-methylsulfonylbenzoic acid

CAS No.:
185945-88-4
Catalog Number:
AG003JFF
Molecular Formula:
C8H7FO4S
Molecular Weight:
218.2022
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$175
- +
5g
>95%
In Stock USA
United States
$429
- +
Product Description
Catalog Number:
AG003JFF
Chemical Name:
3-Fluoro-4-methylsulfonylbenzoic acid
CAS Number:
185945-88-4
Molecular Formula:
C8H7FO4S
Molecular Weight:
218.2022
MDL Number:
MFCD09743730
IUPAC Name:
3-fluoro-4-methylsulfonylbenzoic acid
InChI:
InChI=1S/C8H7FO4S/c1-14(12,13)7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)
InChI Key:
QJHFDGZWRWQZCR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)F)S(=O)(=O)C
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