Home Fluorides 1016788-23-0
1016788-23-0,MFCD09949279
Catalog No.:AA000548
1016788-23-0 | 5-Fluoro-2-(methylsulfonamido)benzoic acid
Pack Size
Purity
Availability
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Quantity
  
250mg
95.0%
3 weeks  
$322.00   $225.00
- +
500mg
95.0%
3 weeks  
$355.00   $249.00
- +
1g
95.0%
3 weeks  
$387.00   $271.00
- +
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Technical Information
Catalog Number:
AA000548
Chemical Name:
5-Fluoro-2-(methylsulfonamido)benzoic acid
CAS Number:
1016788-23-0
Molecular Formula:
C8H8FNO4S
Molecular Weight:
233.2168
MDL Number:
MFCD09949279
IUPAC Name:
5-fluoro-2-(methanesulfonamido)benzoic acid
InChI:
InChI=1S/C8H8FNO4S/c1-15(13,14)10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,1H3,(H,11,12)
InChI Key:
QDIQHFNTURTELA-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=O)O)NS(=O)(=O)C
Properties
Computed Properties
 
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.016g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.213g/mol
Monoisotopic Mass:
233.016g/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  

Synonyms
 
1016788-23-0 
5-Fluoro-2-(methylsulfonamido)benzoic acid 
ZINC19516665 
AKOS000197501 
MCULE-6186693806 
NE14679 
AJ-73897 
SY015007 
DB-058640 
RT-017094 
FT-0731772 
EN300-36323 
5-fluoro-2-[(methylsulfonyl)amino]benzoic acid 
MFCD09949279 (95%) 
J-000474 
Z133679140 
C8H8FNO4S 
5-fluoro-2-methanesulfonamidobenzoic acid 
Benzoic acid, 5-fluoro-2-[(methylsulfonyl)amino]- 
AC1Q4GP0 
SCHEMBL221687 
CTK7B8593 
QDIQHFNTURTELA-UHFFFAOYSA-N 
6363AJ 
Literature
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