+1 858-523-8231
Login | Register
AA Blocks, Building Blocks, Catalysts, Inhibitors
Login | Register
Home Nitro Compounds 81029-08-5
81029-08-5,MFCD00025071
Catalog No.:AA008L9D

81029-08-5 | 4-Methanesulfonyl-3-nitro-benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$81.00   $57.00
- +
250mg
95%
in stock  
$120.00   $84.00
- +
1g
95%
in stock  
$318.00   $223.00
- +
5g
95%
in stock  
$953.00   $667.00
- +
10g
98%
in stock  
$1,507.00   $1,055.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA008L9D
Chemical Name:
4-Methanesulfonyl-3-nitro-benzoic acid
CAS Number:
81029-08-5
Molecular Formula:
C8H7NO6S
Molecular Weight:
245.2093
MDL Number:
MFCD00025071
SMILES:
[O-][N+](=O)c1cc(ccc1S(=O)(=O)C)C(=O)O
Properties
Computed Properties
 
Complexity:
392  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
0.5  

Downstream Synthesis Route

[1]Parlow,JohnJ.;Mischke,DeborahA.;Woodard,ScottS.[JournalofOrganicChemistry,1997,vol.62,#17,p.5908-5919]

[2]Wrobel,Jay;Green,Daniel;Jetter,James;Kao,Wenling;Rogers,John;Perez,MClaudia;Hardenburg,Jill;Deecher,DarleneC;Lopez,FranciscoJ;Arey,BrianJ;Shen,EmilyS[Bioorganicandmedicinalchemistry,2002,vol.10,#3,p.639-656]

[3]CurrentPatentAssignee:ASTRAZENECAPLC-WO2008/75070,2008,A1Locationinpatent:Page/Pagecolumn160-161

[1]Wrobel,Jay;Green,Daniel;Jetter,James;Kao,Wenling;Rogers,John;Perez,MClaudia;Hardenburg,Jill;Deecher,DarleneC;Lopez,FranciscoJ;Arey,BrianJ;Shen,EmilyS[Bioorganicandmedicinalchemistry,2002,vol.10,#3,p.639-656]

[1]Wrobel,Jay;Green,Daniel;Jetter,James;Kao,Wenling;Rogers,John;Perez,MClaudia;Hardenburg,Jill;Deecher,DarleneC;Lopez,FranciscoJ;Arey,BrianJ;Shen,EmilyS[Bioorganicandmedicinalchemistry,2002,vol.10,#3,p.639-656]

81029-08-5   
C34H30N4O15S5(2-)*2Na(1+) 

[1]Wrobel,Jay;Green,Daniel;Jetter,James;Kao,Wenling;Rogers,John;Perez,MClaudia;Hardenburg,Jill;Deecher,DarleneC;Lopez,FranciscoJ;Arey,BrianJ;Shen,EmilyS[Bioorganicandmedicinalchemistry,2002,vol.10,#3,p.639-656]

[1]Parlow,JohnJ.;Mischke,DeborahA.;Woodard,ScottS.[JournalofOrganicChemistry,1997,vol.62,#17,p.5908-5919]

Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Related Products of 81029-08-5
Building Blocks
More >
Tags:81029-08-5 Molecular Formula|81029-08-5 MDL|81029-08-5 SMILES|81029-08-5 4-Methanesulfonyl-3-nitro-benzoic acid