Home Sulfos 5-(Chlorosulfonyl)-2-methylbenzoic acid

5-(Chlorosulfonyl)-2-methylbenzoic acid

CAS No.:
89001-57-0
Catalog Number:
AG0088Z7
Molecular Formula:
C8H7ClO4S
Molecular Weight:
234.6568
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$175
- +
10g
98%
In Stock USA
United States
$300
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG0088Z7
Chemical Name:
5-(Chlorosulfonyl)-2-methylbenzoic acid
CAS Number:
89001-57-0
Molecular Formula:
C8H7ClO4S
Molecular Weight:
234.6568
MDL Number:
MFCD03989642
IUPAC Name:
5-chlorosulfonyl-2-methylbenzoic acid
InChI:
InChI=1S/C8H7ClO4S/c1-5-2-3-6(14(9,12)13)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
FMWIOAWRARBKDQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(ccc1C)S(=O)(=O)Cl
NSC Number:
210248
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