Home Nitro Compounds 6082-87-7
6082-87-7,MFCD01002507
Catalog No.:AA00EE1T

6082-87-7 | 2-(4-Nitrophenoxy)benzoic acid

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Purity
Availability
Price(USD)
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50mg
95%
in stock  
$86.00   $60.00
- +
250mg
95%
in stock  
$170.00   $119.00
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1g
95%
in stock  
$432.00   $303.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00EE1T
Chemical Name:
2-(4-Nitrophenoxy)benzoic acid
CAS Number:
6082-87-7
Molecular Formula:
C13H9NO5
Molecular Weight:
259.2143
MDL Number:
MFCD01002507
SMILES:
[O-][N+](=O)c1ccc(cc1)Oc1ccccc1C(=O)O
Properties
Computed Properties
 
Complexity:
332  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.9  

Downstream Synthesis Route

[1]Brewster;Strain[JournaloftheAmericanChemicalSociety,1934,vol.56,p.117,118]

[1]Tozer;Smiles[JournaloftheChemicalSociety,1938,p.1897,1899]

[1]Yatsimirsky;Bezsoudnova[RussianChemicalBulletin,1996,vol.45,#11,p.2517-2524]

Literature

Title: 2-(4-Nitrophenoxy)benzoic acid: a three-dimensional hydrogen-bonded framework in a triclinic structure having Z' = 3.

Journal: Acta crystallographica. Section C, Crystal structure communications 20040501

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SDS
Tags:6082-87-7 Molecular Formula|6082-87-7 MDL|6082-87-7 SMILES|6082-87-7 2-(4-Nitrophenoxy)benzoic acid