Home Sulfos 2-Chloro-3-hydroxy-1-methylpyridin-1-ium 4-methylbenzene-1-sulfonate

2-Chloro-3-hydroxy-1-methylpyridin-1-ium 4-methylbenzene-1-sulfonate

CAS No.:
73059-19-5
Catalog Number:
AG01EX7X
Molecular Formula:
C13H14ClNO4S
Molecular Weight:
315.7726
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
1 week
United States
$295
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Product Description
Catalog Number:
AG01EX7X
Chemical Name:
2-Chloro-3-hydroxy-1-methylpyridin-1-ium 4-methylbenzene-1-sulfonate
CAS Number:
73059-19-5
Molecular Formula:
C13H14ClNO4S
Molecular Weight:
315.7726
MDL Number:
MFCD00957480
IUPAC Name:
2-chloro-1-methylpyridin-1-ium-3-ol;4-methylbenzenesulfonate
InChI:
InChI=1S/C7H8O3S.C6H6ClNO/c1-6-2-4-7(5-3-6)11(8,9)10;1-8-4-2-3-5(9)6(8)7/h2-5H,1H3,(H,8,9,10);2-4H,1H3
InChI Key:
HFIJCDZAEGSYAQ-UHFFFAOYSA-N
SMILES:
C[n+]1cccc(c1Cl)O.Cc1ccc(cc1)S(=O)(=O)[O-]
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.033g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
315.768g/mol
Monoisotopic Mass:
315.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties