Home Sulfos 4-Chlorosulfonyl-benzoic acid ethyl ester

4-Chlorosulfonyl-benzoic acid ethyl ester

CAS No.:
10486-51-8
Catalog Number:
AG008VIQ
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$94
- +
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG008VIQ
Chemical Name:
4-Chlorosulfonyl-benzoic acid ethyl ester
CAS Number:
10486-51-8
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
MDL Number:
MFCD00121815
IUPAC Name:
ethyl 4-chlorosulfonylbenzoate
InChI:
InChI=1S/C9H9ClO4S/c1-2-14-9(11)7-3-5-8(6-4-7)15(10,12)13/h3-6H,2H2,1H3
InChI Key:
MRNJSMNKWNPSDN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)S(=O)(=O)Cl
Properties
Complexity:
312  
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:
4  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties