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

3-Chloro-4-(methylsulfonyl)benzoic acid

CAS No.:
1197193-45-5
Catalog Number:
AG000PJQ
Molecular Formula:
C8H7ClO4S
Molecular Weight:
234.6568
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$350
- +
10g
98%
In Stock USA
United States
$600
- +
25g
98%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG000PJQ
Chemical Name:
3-Chloro-4-(methylsulfonyl)benzoic acid
CAS Number:
1197193-45-5
Molecular Formula:
C8H7ClO4S
Molecular Weight:
234.6568
MDL Number:
MFCD13191622
IUPAC Name:
3-chloro-4-methylsulfonylbenzoic acid
InChI:
InChI=1S/C8H7ClO4S/c1-14(12,13)7-3-2-5(8(10)11)4-6(7)9/h2-4H,1H3,(H,10,11)
InChI Key:
HBBPBQPKQRWCBA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)Cl)S(=O)(=O)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:
1.3  
Properties