Home Sulfos 4-Methanesulfonyl-2-(trifluoromethyl)benzoic acid

4-Methanesulfonyl-2-(trifluoromethyl)benzoic acid

CAS No.:
118939-17-6
Catalog Number:
AG00HETP
Molecular Formula:
C9H7F3O4S
Molecular Weight:
268.2097
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$350
- +
5g
97%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG00HETP
Chemical Name:
4-Methanesulfonyl-2-(trifluoromethyl)benzoic acid
CAS Number:
118939-17-6
Molecular Formula:
C9H7F3O4S
Molecular Weight:
268.2097
MDL Number:
MFCD28662776
IUPAC Name:
4-methylsulfonyl-2-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C9H7F3O4S/c1-17(15,16)5-2-3-6(8(13)14)7(4-5)9(10,11)12/h2-4H,1H3,(H,13,14)
InChI Key:
NCJTZIGOMMCULI-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1C(F)(F)F)S(=O)(=O)C
Properties
Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.002g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.206g/mol
Monoisotopic Mass:
268.002g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties