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3342-77-6,MFCD00088808
Catalog No.:AA007FB3

3342-77-6 | 2-Formamidobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$355.00   $249.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007FB3
Chemical Name:
2-Formamidobenzoic acid
CAS Number:
3342-77-6
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD00088808
SMILES:
O=CNc1ccccc1C(=O)O
NSC Number:
509050
Properties
Computed Properties
 
Complexity:
181  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.9  

Downstream Synthesis Route
86-96-4    3342-77-6   
N,N-Dimethyl-2-(4-oxo-4H-quinazolin-3-yl)-benzamide 

[1]Prashad,Mahavir;Har,Denis;Repic,Oljan;Blacklock,ThomasJ.;Chin,JeffersonA.;Shapiro,MichaelJ.[TetrahedronLetters,1997,vol.38,#8,p.1313-1316]

[1]Hradil,Pavel;Grepl,Martin;Hlavac,Jan;Lycka,Antonin[Heterocycles,2007,vol.71,#2,p.269-280]

3342-77-6    3844-53-9   
ethyl2-amino-6-(4-oxoquinazolin-3(4H)-yl)hexanoate 

[1]ChemicalResearchinToxicology,2014,vol.27,p.1294-1303

Literature

Title: BKM-react, an integrated biochemical reaction database.

Journal: BMC biochemistry 20110101

Title: Crystallization and diffraction data of 1H-3-hydroxy-4-oxoquinoline 2,4-dioxygenase: a cofactor-free oxygenase of the alpha/beta-hydrolase family.

Journal: Acta crystallographica. Section F, Structural biology and crystallization communications 20070501

Title: Dioxygenases without requirement for cofactors and their chemical model reaction: compulsory order ternary complex mechanism of 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase involving general base catalysis by histidine 251 and single-electron oxidation of the substrate dianion.

Journal: Biochemistry 20041116

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SDS
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Tags:3342-77-6 Molecular Formula|3342-77-6 MDL|3342-77-6 SMILES|3342-77-6 2-Formamidobenzoic acid
Catalog No.: AA007FB3
3342-77-6,MFCD00088808
3342-77-6 | 2-Formamidobenzoic acid
Pack Size： 1g
Purity： 95%
in stock
$355.00 $249.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA007FB3
Chemical Name: 2-Formamidobenzoic acid
CAS Number: 3342-77-6
Molecular Formula: C8H7NO3
Molecular Weight: 165.1461
MDL Number: MFCD00088808
SMILES: O=CNc1ccccc1C(=O)O
NSC Number: 509050
Properties
Complexity: 181  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.9  
Downstream Synthesis Route
86-96-4    3342-77-6   
N,N-Dimethyl-2-(4-oxo-4H-quinazolin-3-yl)-benzamide 

[1]Prashad,Mahavir;Har,Denis;Repic,Oljan;Blacklock,ThomasJ.;Chin,JeffersonA.;Shapiro,MichaelJ.[TetrahedronLetters,1997,vol.38,#8,p.1313-1316]

3342-77-6    31588-18-8 

[1]Hradil,Pavel;Grepl,Martin;Hlavac,Jan;Lycka,Antonin[Heterocycles,2007,vol.71,#2,p.269-280]

3342-77-6    3844-53-9   
ethyl2-amino-6-(4-oxoquinazolin-3(4H)-yl)hexanoate 

[1]ChemicalResearchinToxicology,2014,vol.27,p.1294-1303

Literature fold

Title: BKM-react, an integrated biochemical reaction database.

Journal: BMC biochemistry20110101

Title: Crystallization and diffraction data of 1H-3-hydroxy-4-oxoquinoline 2,4-dioxygenase: a cofactor-free oxygenase of the alpha/beta-hydrolase family.

Journal: Acta crystallographica. Section F, Structural biology and crystallization communications20070501

Title: Dioxygenases without requirement for cofactors and their chemical model reaction: compulsory order ternary complex mechanism of 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase involving general base catalysis by histidine 251 and single-electron oxidation of the substrate dianion.

Journal: Biochemistry20041116

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