Home Other Building Blocks 4-Fluoro-3-(methylsulphonyl)benzoic acid

4-Fluoro-3-(methylsulphonyl)benzoic acid

CAS No.:
158608-00-5
Catalog Number:
AG001QC6
Molecular Formula:
C8H7FO4S
Molecular Weight:
218.2022
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$75
- +
1g
96%
In Stock USA
United States
$150
- +
5g
>97%
In Stock USA
United States
$441
- +
Product Description
Catalog Number:
AG001QC6
Chemical Name:
4-Fluoro-3-(methylsulphonyl)benzoic acid
CAS Number:
158608-00-5
Molecular Formula:
C8H7FO4S
Molecular Weight:
218.2022
MDL Number:
MFCD08458082
IUPAC Name:
4-fluoro-3-methylsulfonylbenzoic acid
InChI:
InChI=1S/C8H7FO4S/c1-14(12,13)7-4-5(8(10)11)2-3-6(7)9/h2-4H,1H3,(H,10,11)
InChI Key:
ACHDHOLFQUPCNV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)S(=O)(=O)C)F
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