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4837-22-3,MFCD00766762
Catalog No.:AA00DIE3

4837-22-3 | 4-(Difluoro-methanesulfonyl)-benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$33.00   $23.00
- +
1g
98%
in stock  
$62.00   $44.00
- +
5g
98%
in stock  
$266.00   $186.00
- +
25g
98%
in stock  
$1,250.00 $875.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DIE3
Chemical Name:
4-(Difluoro-methanesulfonyl)-benzoic acid
CAS Number:
4837-22-3
Molecular Formula:
C8H6F2O4S
Molecular Weight:
236.1926
MDL Number:
MFCD00766762
SMILES:
FC(S(=O)(=O)c1ccc(cc1)C(=O)O)F
Properties
Properties
 
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
325  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Downstream Synthesis Route

[1]Krasovitskii,B.M.;Shershukov,V.M.;Yagupol'skii,L.M.[ChemistryofHeterocyclicCompounds,1982,vol.18,#8,p.791-795][KhimiyaGeterotsiklicheskikhSoedinenii,1982,vol.18,#8,p.1042-1046]

[1]DeCat,A.etal.[BulletindesSocietesChimiquesBelges,1965,vol.74,p.270-280]

[1]Krasovitskii,B.M.;Shershukov,V.M.;Yagupol'skii,L.M.[ChemistryofHeterocyclicCompounds,1982,vol.18,#8,p.791-795][KhimiyaGeterotsiklicheskikhSoedinenii,1982,vol.18,#8,p.1042-1046]

[1]Krasovitskii,B.M.;Shershukov,V.M.;Yagupol'skii,L.M.[ChemistryofHeterocyclicCompounds,1982,vol.18,#8,p.791-795][KhimiyaGeterotsiklicheskikhSoedinenii,1982,vol.18,#8,p.1042-1046]

[1]Krasovitskii,B.M.;Shershukov,V.M.;Yagupol'skii,L.M.[ChemistryofHeterocyclicCompounds,1982,vol.18,#8,p.791-795][KhimiyaGeterotsiklicheskikhSoedinenii,1982,vol.18,#8,p.1042-1046]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Quotation Request
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SDS
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Tags:4837-22-3 Molecular Formula|4837-22-3 MDL|4837-22-3 SMILES|4837-22-3 4-(Difluoro-methanesulfonyl)-benzoic acid
Catalog No.: AA00DIE3
4837-22-3,MFCD00766762
4837-22-3 | 4-(Difluoro-methanesulfonyl)-benzoic acid
Pack Size： 250mg
Purity： 95%
in stock
$33.00 $23.00
Pack Size： 1g
Purity： 98%
in stock
$62.00 $44.00
Pack Size： 5g
Purity： 98%
in stock
$266.00 $186.00
Pack Size： 25g
Purity： 98%
in stock
$1,250.00 $875.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DIE3
Chemical Name: 4-(Difluoro-methanesulfonyl)-benzoic acid
CAS Number: 4837-22-3
Molecular Formula: C8H6F2O4S
Molecular Weight: 236.1926
MDL Number: MFCD00766762
SMILES: FC(S(=O)(=O)c1ccc(cc1)C(=O)O)F
Properties
Form: Solid  
Storage: Keep in dry area;2-8℃;  
Complexity: 325  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
Downstream Synthesis Route
4837-22-3    75446-65-0 

[1]Krasovitskii,B.M.;Shershukov,V.M.;Yagupol'skii,L.M.[ChemistryofHeterocyclicCompounds,1982,vol.18,#8,p.791-795][KhimiyaGeterotsiklicheskikhSoedinenii,1982,vol.18,#8,p.1042-1046]

4837-17-6    4837-22-3 

[1]DeCat,A.etal.[BulletindesSocietesChimiquesBelges,1965,vol.74,p.270-280]

4837-22-3    72399-66-7 

[1]Krasovitskii,B.M.;Shershukov,V.M.;Yagupol'skii,L.M.[ChemistryofHeterocyclicCompounds,1982,vol.18,#8,p.791-795][KhimiyaGeterotsiklicheskikhSoedinenii,1982,vol.18,#8,p.1042-1046]

4837-22-3    72399-67-8 

[1]Krasovitskii,B.M.;Shershukov,V.M.;Yagupol'skii,L.M.[ChemistryofHeterocyclicCompounds,1982,vol.18,#8,p.791-795][KhimiyaGeterotsiklicheskikhSoedinenii,1982,vol.18,#8,p.1042-1046]

4837-22-3    72399-70-3 

[1]Krasovitskii,B.M.;Shershukov,V.M.;Yagupol'skii,L.M.[ChemistryofHeterocyclicCompounds,1982,vol.18,#8,p.791-795][KhimiyaGeterotsiklicheskikhSoedinenii,1982,vol.18,#8,p.1042-1046]

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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