Home Sulfos Methyl 4-methanesulfonyl-2-(trifluoromethyl)benzoate

Methyl 4-methanesulfonyl-2-(trifluoromethyl)benzoate

CAS No.:
1951440-91-7
Catalog Number:
AG00I381
Molecular Formula:
C10H9F3O4S
Molecular Weight:
282.2363
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$75
- +
5g
95%
In Stock USA
United States
$253
- +
Product Description
Catalog Number:
AG00I381
Chemical Name:
Methyl 4-methanesulfonyl-2-(trifluoromethyl)benzoate
CAS Number:
1951440-91-7
Molecular Formula:
C10H9F3O4S
Molecular Weight:
282.2363
MDL Number:
MFCD29917485
IUPAC Name:
methyl 4-methylsulfonyl-2-(trifluoromethyl)benzoate
InChI:
InChI=1S/C10H9F3O4S/c1-17-9(14)7-4-3-6(18(2,15)16)5-8(7)10(11,12)13/h3-5H,1-2H3
InChI Key:
YTXQPCSIPPHEEF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1C(F)(F)F)S(=O)(=O)C
Properties
Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.017g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.233g/mol
Monoisotopic Mass:
282.017g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties