Home Sulfos 5-Methyl-2-[(methylsulfonyl)amino]benzoic acid

5-Methyl-2-[(methylsulfonyl)amino]benzoic acid

CAS No.:
1017051-55-6
Catalog Number:
AG00059E
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$100
- +
5g
97%
In Stock USA
United States
$300
- +
10g
97%
In Stock USA
United States
$525
- +
25g
97%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00059E
Chemical Name:
5-Methyl-2-[(methylsulfonyl)amino]benzoic acid
CAS Number:
1017051-55-6
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD09945630
IUPAC Name:
2-(methanesulfonamido)-5-methylbenzoic acid
InChI:
InChI=1S/C9H11NO4S/c1-6-3-4-8(10-15(2,13)14)7(5-6)9(11)12/h3-5,10H,1-2H3,(H,11,12)
InChI Key:
IAVAVGYTZPNJLD-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)C
Properties
Complexity:
333  
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:
3  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties