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Home Sulfos 3-(Methanesulfonylamino)benzoic acid

3-(Methanesulfonylamino)benzoic acid

CAS No.:
28547-13-9
Catalog Number:
AG002VO4
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$69
- +
5g
98%
In Stock USA
United States
$188
- +
10g
98%
In Stock USA
United States
$300
- +
25g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG002VO4
Chemical Name:
3-(Methanesulfonylamino)benzoic acid
CAS Number:
28547-13-9
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
MDL Number:
MFCD00596197
IUPAC Name:
3-(methanesulfonamido)benzoic acid
InChI:
InChI=1S/C8H9NO4S/c1-14(12,13)9-7-4-2-3-6(5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChI Key:
WLPFXFJXJHAIKU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)NS(=O)(=O)C
NSC Number:
15499
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.025g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.223g/mol
Monoisotopic Mass:
215.025g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties