Home Sulfos 4-Chloro-3-(methylsulfonyl)benzoic acid

4-Chloro-3-(methylsulfonyl)benzoic acid

CAS No.:
51522-07-7
Catalog Number:
AG00DIPD
Molecular Formula:
C8H7ClO4S
Molecular Weight:
234.6568
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$188
- +
1g
95%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG00DIPD
Chemical Name:
4-Chloro-3-(methylsulfonyl)benzoic acid
CAS Number:
51522-07-7
Molecular Formula:
C8H7ClO4S
Molecular Weight:
234.6568
MDL Number:
MFCD06342742
IUPAC Name:
4-chloro-3-methylsulfonylbenzoic acid
InChI:
InChI=1S/C8H7ClO4S/c1-14(12,13)7-4-5(8(10)11)2-3-6(7)9/h2-4H,1H3,(H,10,11)
InChI Key:
ZWBQTUAUWSDCKX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)S(=O)(=O)C)Cl
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.975g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.65g/mol
Monoisotopic Mass:
233.975g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties