Home Sulfos 3-Chlorosulfonyl-4-methyl-benzoic acid

3-Chlorosulfonyl-4-methyl-benzoic acid

CAS No.:
2548-29-0
Catalog Number:
AG00BFK5
Molecular Formula:
C8H7ClO4S
Molecular Weight:
234.6568
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$32
- +
5g
98%
In Stock USA
United States
$100
- +
10g
98%
In Stock USA
United States
$175
- +
25g
98%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG00BFK5
Chemical Name:
3-Chlorosulfonyl-4-methyl-benzoic acid
CAS Number:
2548-29-0
Molecular Formula:
C8H7ClO4S
Molecular Weight:
234.6568
MDL Number:
MFCD00625710
IUPAC Name:
3-chlorosulfonyl-4-methylbenzoic acid
InChI:
InChI=1S/C8H7ClO4S/c1-5-2-3-6(8(10)11)4-7(5)14(9,12)13/h2-4H,1H3,(H,10,11)
InChI Key:
XVAASXODNQTGCP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)S(=O)(=O)Cl)C
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:
1.8  
Properties