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Home Sulfos 4-(Chlorosulfonyl)benzoic acid

4-(Chlorosulfonyl)benzoic acid

CAS No.:
10130-89-9
Catalog Number:
AG00046G
Molecular Formula:
C7H5ClO4S
Molecular Weight:
220.6302
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$18
- +
5g
97%
In Stock USA
United States
$57
- +
10g
97%
In Stock USA
United States
$94
- +
25g
97%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG00046G
Chemical Name:
4-(Chlorosulfonyl)benzoic acid
CAS Number:
10130-89-9
Molecular Formula:
C7H5ClO4S
Molecular Weight:
220.6302
MDL Number:
MFCD00007448
IUPAC Name:
4-chlorosulfonylbenzoic acid
InChI:
InChI=1S/C7H5ClO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChI Key:
PTCSSXYPZOFISK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)S(=O)(=O)Cl
EC Number:
233-367-2
Properties
Complexity:
284  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.96g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.623g/mol
Monoisotopic Mass:
219.96g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Activation of sulfonate ester based matrix metalloproteinase proinhibitors by hydrogen peroxide. Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 20110201
Carbonic anhydrase inhibitors: topically acting antiglaucoma sulfonamides incorporating esters and amides of 3- and 4-carboxybenzolamide. Bioorganic & medicinal chemistry letters 20030901
Properties