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Home Carboxys 1-Tosyl-1H-imidazole-4-carboxylic acid

1-Tosyl-1H-imidazole-4-carboxylic acid

CAS No.:
957063-02-4
Catalog Number:
AG00H818
Molecular Formula:
C11H10N2O4S
Molecular Weight:
266.2731
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$150
- +
5g
96%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00H818
Chemical Name:
1-Tosyl-1H-imidazole-4-carboxylic acid
CAS Number:
957063-02-4
Molecular Formula:
C11H10N2O4S
Molecular Weight:
266.2731
MDL Number:
MFCD09878406
IUPAC Name:
1-(4-methylphenyl)sulfonylimidazole-4-carboxylic acid
InChI:
InChI=1S/C11H10N2O4S/c1-8-2-4-9(5-3-8)18(16,17)13-6-10(11(14)15)12-7-13/h2-7H,1H3,(H,14,15)
InChI Key:
KEHGFYXOUGMVJB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cnc(c1)C(=O)O
Properties
Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.036g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
266.271g/mol
Monoisotopic Mass:
266.036g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties