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Home Sulfos 2-Chlorotoluene-4-sulfonic acid sodium salt

2-Chlorotoluene-4-sulfonic acid sodium salt

CAS No.:
5138-91-0
Catalog Number:
AG003H3O
Molecular Formula:
C7H6ClNaO3S
Molecular Weight:
228.6285
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
>95.0%(T)
1 week
United States
$113
- +
500g
>95.0%(T)
1 week
United States
$484
- +
Product Description
Catalog Number:
AG003H3O
Chemical Name:
2-Chlorotoluene-4-sulfonic acid sodium salt
CAS Number:
5138-91-0
Molecular Formula:
C7H6ClNaO3S
Molecular Weight:
228.6285
MDL Number:
MFCD00053619
IUPAC Name:
sodium;3-chloro-4-methylbenzenesulfonate
InChI:
InChI=1S/C7H7ClO3S.Na/c1-5-2-3-6(4-7(5)8)12(9,10)11;/h2-4H,1H3,(H,9,10,11);/q;+1/p-1
InChI Key:
FQFDFCOTXFCZMB-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1Cl)S(=O)(=O)[O-].[Na+]
EC Number:
225-901-8
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.962g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.622g/mol
Monoisotopic Mass:
227.962g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties