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54872-79-6,MFCD05663129
Catalog No.:AA00DC4C

54872-79-6 | 3-Fluoro-N-hydroxy-benzamidine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$13.00   $9.00
- +
1g
97%
in stock  
$34.00   $24.00
- +
5g
97%
in stock  
$114.00   $80.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DC4C
Chemical Name:
3-Fluoro-N-hydroxy-benzamidine
CAS Number:
54872-79-6
Molecular Formula:
C7H7FN2O
Molecular Weight:
154.1417
MDL Number:
MFCD05663129
SMILES:
O/N=C(\c1cccc(c1)F)/N
Properties
Computed Properties
 
Complexity:
161  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.2  

Downstream Synthesis Route

[1]Bjorklund,MarkD.;Coburn,MichaelD.[JournalofHeterocyclicChemistry,1980,vol.17,p.819-821]

[1]Bjorklund,MarkD.;Coburn,MichaelD.[JournalofHeterocyclicChemistry,1980,vol.17,p.819-821]

[1]CurrentPatentAssignee:ASTRAZENECAPLC-WO2008/32191,2008,A2Locationinpatent:Page/Pagecolumn61

[1]Lankau,Hans-Joachim;Unverferth,Klaus;Grunwald,Christian;Hartenhauer,Helge;Heinecke,Kristina;Bernoester,Katrin;Dost,Rita;Egerland,Ute;Rundfeldt,Chris[EuropeanJournalofMedicinalChemistry,2007,vol.42,#6,p.873-879]

[2]Baixeras,Elena;Ballesteros,JuanA.;Bennett,TeresaA.;Codesido,Eva;Cruces,Jacobo;Decara,JuanM.;Garcia-Ladona,F.Javier;Lutz,Beat;Orio,Laura;Srivastava,RajKamal;Alén,Francisco;Alonso,Mónica;Benhamú,Bellinda;Brea,José;Escobar-Peña,Andrea;García-Cárceles,Javier;López-Rodríguez,MaríaL.;Loza,MaríaI.;RodríguezDeFonseca,Fernando;Rodríguez,Ramón;Suárez,Juan;Vázquez-Villa,Henar[JournalofMedicinalChemistry,2022,vol.65,#7,p.5449-5461]

[1]EuropeanJournalofMedicinalChemistry,2018,vol.160,p.207-228

[2]BioorganicandMedicinalChemistry,2014,vol.22,p.5446-5453

[3]OrganicandBiomolecularChemistry,2015,vol.13,p.2541-2545

[4]JournalofHeterocyclicChemistry,1980,vol.17,p.819-821

[5]JournalofHeterocyclicChemistry,2009,vol.46,p.980-987

[6]JournalofMedicinalChemistry,2012,vol.55,p.68-83

[7]BioorganicandMedicinalChemistryLetters,2012,vol.22,p.2843-2849

[8]BioorganicandMedicinalChemistryLetters,2012,vol.22,p.5658-5662

[9]JournalofOrganometallicChemistry,2014,vol.759,p.67-73

[10]AsianJournalofChemistry,2014,vol.26,p.1921-1930

[11]OrganicLetters,2017,vol.19,p.2885-2888

Literature
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SDS
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Tags:54872-79-6 Molecular Formula|54872-79-6 MDL|54872-79-6 SMILES|54872-79-6 3-Fluoro-N-hydroxy-benzamidine
Catalog No.: AA00DC4C
54872-79-6,MFCD05663129
54872-79-6 | 3-Fluoro-N-hydroxy-benzamidine
Pack Size： 250mg
Purity： 97%
in stock
$13.00 $9.00
Pack Size： 1g
Purity： 97%
in stock
$34.00 $24.00
Pack Size： 5g
Purity： 97%
in stock
$114.00 $80.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DC4C
Chemical Name: 3-Fluoro-N-hydroxy-benzamidine
CAS Number: 54872-79-6
Molecular Formula: C7H7FN2O
Molecular Weight: 154.1417
MDL Number: MFCD05663129
SMILES: O/N=C(\c1cccc(c1)F)/N
Properties
Complexity: 161  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.2  
Downstream Synthesis Route
75907-84-5    54872-79-6    75907-90-3 

[1]Bjorklund,MarkD.;Coburn,MichaelD.[JournalofHeterocyclicChemistry,1980,vol.17,p.819-821]

72505-20-5    54872-79-6 

[1]Bjorklund,MarkD.;Coburn,MichaelD.[JournalofHeterocyclicChemistry,1980,vol.17,p.819-821]

54872-79-6    79-11-8    601484-33-7 

[1]CurrentPatentAssignee:ASTRAZENECAPLC-WO2008/32191,2008,A2Locationinpatent:Page/Pagecolumn61

54872-79-6    79-04-9    601484-33-7 

[1]Lankau,Hans-Joachim;Unverferth,Klaus;Grunwald,Christian;Hartenhauer,Helge;Heinecke,Kristina;Bernoester,Katrin;Dost,Rita;Egerland,Ute;Rundfeldt,Chris[EuropeanJournalofMedicinalChemistry,2007,vol.42,#6,p.873-879]

[2]Baixeras,Elena;Ballesteros,JuanA.;Bennett,TeresaA.;Codesido,Eva;Cruces,Jacobo;Decara,JuanM.;Garcia-Ladona,F.Javier;Lutz,Beat;Orio,Laura;Srivastava,RajKamal;Alén,Francisco;Alonso,Mónica;Benhamú,Bellinda;Brea,José;Escobar-Peña,Andrea;García-Cárceles,Javier;López-Rodríguez,MaríaL.;Loza,MaríaI.;RodríguezDeFonseca,Fernando;Rodríguez,Ramón;Suárez,Juan;Vázquez-Villa,Henar[JournalofMedicinalChemistry,2022,vol.65,#7,p.5449-5461]

403-54-3    54872-79-6 

[1]EuropeanJournalofMedicinalChemistry,2018,vol.160,p.207-228

[2]BioorganicandMedicinalChemistry,2014,vol.22,p.5446-5453

[3]OrganicandBiomolecularChemistry,2015,vol.13,p.2541-2545

[4]JournalofHeterocyclicChemistry,1980,vol.17,p.819-821

[5]JournalofHeterocyclicChemistry,2009,vol.46,p.980-987

[6]JournalofMedicinalChemistry,2012,vol.55,p.68-83

[7]BioorganicandMedicinalChemistryLetters,2012,vol.22,p.2843-2849

[8]BioorganicandMedicinalChemistryLetters,2012,vol.22,p.5658-5662

[9]JournalofOrganometallicChemistry,2014,vol.759,p.67-73

[10]AsianJournalofChemistry,2014,vol.26,p.1921-1930

[11]OrganicLetters,2017,vol.19,p.2885-2888

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304698-96-2
304698-96-2
259874-95-8
259874-95-8
775567-38-9
775567-38-9
851079-16-8
851079-16-8
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