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604000-99-9,MFCD18826156
Catalog No.:AA00ELM9

604000-99-9 | 4-Formyl-3-nitrobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$58.00   $41.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00ELM9
Chemical Name:
4-Formyl-3-nitrobenzoic acid
CAS Number:
604000-99-9
Molecular Formula:
C8H5NO5
Molecular Weight:
195.1290
MDL Number:
MFCD18826156
SMILES:
O=Cc1ccc(cc1[N+](=O)[O-])C(=O)O
Properties
Computed Properties
 
Complexity:
259  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.2  

Downstream Synthesis Route
623-27-8    604000-99-9   
4-formyl-2-nitrobenzoicacid 

[1]Wegscheider;Suida[MonatsheftefurChemie,1912,vol.33,p.1010]

619-66-9    604000-99-9   
4-formyl-2-nitrobenzoicacid 

[1]Loew[JustusLiebigsAnnalenderChemie,1885,vol.231,p.363]

[2]CurrentPatentAssignee:Syngenta(in:SinochemHoldings);SINOCHEMHOLDINGSCORPORATIONLTD-WO2013/26695,2013,A1Locationinpatent:Page/Pagecolumn86

[3]CurrentPatentAssignee:Syngenta(in:SinochemHoldings);SINOCHEMHOLDINGSCORPORATIONLTD-WO2013/26931,2013,A1Locationinpatent:Page/Pagecolumn153

604000-99-9    67-64-1   
3,3'-dioxo-1,3,1',3'-tetrahydro-2,2'biindolylidene-6,6'-dicarboxylicacid 

[1]Loew[ChemischeBerichte,1885,vol.18,p.950][JustusLiebigsAnnalenderChemie,1885,vol.231,p.372]

7664-93-9    623-27-8    39909-72-3    604000-99-9   
4-formyl-2-nitrobenzoicacid 

[1]Wegscheider;Suida[MonatsheftefurChemie,1912,vol.33,p.1010]

Literature
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SDS
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Tags:604000-99-9 Molecular Formula|604000-99-9 MDL|604000-99-9 SMILES|604000-99-9 4-Formyl-3-nitrobenzoic acid
Catalog No.: AA00ELM9
604000-99-9,MFCD18826156
604000-99-9 | 4-Formyl-3-nitrobenzoic acid
Pack Size： 250mg
Purity： 95%
in stock
$58.00 $41.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00ELM9
Chemical Name: 4-Formyl-3-nitrobenzoic acid
CAS Number: 604000-99-9
Molecular Formula: C8H5NO5
Molecular Weight: 195.1290
MDL Number: MFCD18826156
SMILES: O=Cc1ccc(cc1[N+](=O)[O-])C(=O)O
Properties
Complexity: 259  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.2  
Downstream Synthesis Route
623-27-8    604000-99-9   
4-formyl-2-nitrobenzoicacid 

[1]Wegscheider;Suida[MonatsheftefurChemie,1912,vol.33,p.1010]

619-66-9    604000-99-9   
4-formyl-2-nitrobenzoicacid 

[1]Loew[JustusLiebigsAnnalenderChemie,1885,vol.231,p.363]

[2]CurrentPatentAssignee:Syngenta(in:SinochemHoldings);SINOCHEMHOLDINGSCORPORATIONLTD-WO2013/26695,2013,A1Locationinpatent:Page/Pagecolumn86

[3]CurrentPatentAssignee:Syngenta(in:SinochemHoldings);SINOCHEMHOLDINGSCORPORATIONLTD-WO2013/26931,2013,A1Locationinpatent:Page/Pagecolumn153

604000-99-9    67-64-1   
3,3'-dioxo-1,3,1',3'-tetrahydro-2,2'biindolylidene-6,6'-dicarboxylicacid 

[1]Loew[ChemischeBerichte,1885,vol.18,p.950][JustusLiebigsAnnalenderChemie,1885,vol.231,p.372]

7664-93-9    623-27-8    39909-72-3    604000-99-9   
4-formyl-2-nitrobenzoicacid 

[1]Wegscheider;Suida[MonatsheftefurChemie,1912,vol.33,p.1010]

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