Home Sulfos 4-[(Ethylsulfonyl)amino]benzoic acid

4-[(Ethylsulfonyl)amino]benzoic acid

CAS No.:
116855-56-2
Catalog Number:
AG000DBB
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$226
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Product Description
Catalog Number:
AG000DBB
Chemical Name:
4-[(Ethylsulfonyl)amino]benzoic acid
CAS Number:
116855-56-2
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD03764807
IUPAC Name:
4-(ethylsulfonylamino)benzoic acid
InChI:
InChI=1S/C9H11NO4S/c1-2-15(13,14)10-8-5-3-7(4-6-8)9(11)12/h3-6,10H,2H2,1H3,(H,11,12)
InChI Key:
ZFKRSHTUEJDCLL-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties