Home Sulfos Methyl 4-chloro-2-methanesulfonylbenzoate

Methyl 4-chloro-2-methanesulfonylbenzoate

CAS No.:
773134-42-2
Catalog Number:
AG00ICTS
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG00ICTS
Chemical Name:
Methyl 4-chloro-2-methanesulfonylbenzoate
CAS Number:
773134-42-2
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
MDL Number:
MFCD06204241
IUPAC Name:
methyl 4-chloro-2-methylsulfonylbenzoate
InChI:
InChI=1S/C9H9ClO4S/c1-14-9(11)7-4-3-6(10)5-8(7)15(2,12)13/h3-5H,1-2H3
InChI Key:
KHKJTYHNJKJRFN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1S(=O)(=O)C)Cl
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.991g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.677g/mol
Monoisotopic Mass:
247.991g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties