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5149-69-9,MFCD00047286
Catalog No.:AA00DBBF

5149-69-9 | 3-(1-Benzofuran-2-yl)-3-oxopropanenitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
1 week  
$125.00   $88.00
- +
250mg
95%
1 week  
$213.00   $149.00
- +
500mg
>95%
1 week  
$403.00   $282.00
- +
1g
>95%
1 week  
$514.00   $360.00
- +
5g
>95%
1 week  
$1,561.00   $1,093.00
- +
10g
>95%
1 week  
$2,608.00   $1,826.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DBBF
Chemical Name:
3-(1-Benzofuran-2-yl)-3-oxopropanenitrile
CAS Number:
5149-69-9
Molecular Formula:
C11H7NO2
Molecular Weight:
185.1788
MDL Number:
MFCD00047286
SMILES:
N#CCC(=O)c1cc2c(o1)cccc2
Properties
Properties
 
Form:
Solid  

Computed Properties
 
Complexity:
278  
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:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.2  

Downstream Synthesis Route

[1]Tetrahedron,2007,vol.63,p.7229-7239

[2]EuropeanJournalofOrganicChemistry,2017,vol.2017,p.2317-2321

[1]Ryabukhin,SergeyV.;Plaskon,AndreyS.;Naumchik,VasiliyS.;Volochnyuk,DmitriyM.;Pipko,SergeyE.;Tolmachev,AndreyA.[Heterocycles,2007,vol.71,#11,p.2397-2411]

641571-21-3    5149-69-9   
(E)-2-(benzofuran-2-yl)-N-(3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl)-2-oxoacetohydrazonoylcyanide 

[1]ACSInfectiousDiseases,2019,vol.5,p.460-472

105316-06-1    5149-69-9   
(E)-2-(benzofuran-2-yl)-N-(4-morpholino-3-(trifluoromethyl)phenyl)-2-oxoacetohydrazonoylcyanide 

[1]ACSInfectiousDiseases,2019,vol.5,p.460-472

641571-11-1    5149-69-9   
(E)-2-(benzofuran-2-yl)-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-2-oxoacetohydrazonoylcyanide 

[1]ACSInfectiousDiseases,2019,vol.5,p.460-472

Literature
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SDS
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Tags:5149-69-9 Molecular Formula|5149-69-9 MDL|5149-69-9 SMILES|5149-69-9 3-(1-Benzofuran-2-yl)-3-oxopropanenitrile
Catalog No.: AA00DBBF
5149-69-9,MFCD00047286
5149-69-9 | 3-(1-Benzofuran-2-yl)-3-oxopropanenitrile
Pack Size： 100mg
Purity： 95%
1 week
$125.00 $88.00
Pack Size： 250mg
Purity： 95%
1 week
$213.00 $149.00
Pack Size： 500mg
Purity： >95%
1 week
$403.00 $282.00
Pack Size： 1g
Purity： >95%
1 week
$514.00 $360.00
Pack Size： 5g
Purity： >95%
1 week
$1,561.00 $1,093.00
Pack Size： 10g
Purity： >95%
1 week
$2,608.00 $1,826.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00DBBF
Chemical Name: 3-(1-Benzofuran-2-yl)-3-oxopropanenitrile
CAS Number: 5149-69-9
Molecular Formula: C11H7NO2
Molecular Weight: 185.1788
MDL Number: MFCD00047286
SMILES: N#CCC(=O)c1cc2c(o1)cccc2
Properties
Form: Solid  
Complexity: 278  
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: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.2  
Downstream Synthesis Route
1646-27-1    75-05-8    5149-69-9 

[1]Tetrahedron,2007,vol.63,p.7229-7239

[2]EuropeanJournalofOrganicChemistry,2017,vol.2017,p.2317-2321

61424-76-8    5149-69-9    869637-71-8 

[1]Ryabukhin,SergeyV.;Plaskon,AndreyS.;Naumchik,VasiliyS.;Volochnyuk,DmitriyM.;Pipko,SergeyE.;Tolmachev,AndreyA.[Heterocycles,2007,vol.71,#11,p.2397-2411]

641571-21-3    5149-69-9   
(E)-2-(benzofuran-2-yl)-N-(3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl)-2-oxoacetohydrazonoylcyanide 

[1]ACSInfectiousDiseases,2019,vol.5,p.460-472

105316-06-1    5149-69-9   
(E)-2-(benzofuran-2-yl)-N-(4-morpholino-3-(trifluoromethyl)phenyl)-2-oxoacetohydrazonoylcyanide 

[1]ACSInfectiousDiseases,2019,vol.5,p.460-472

641571-11-1    5149-69-9   
(E)-2-(benzofuran-2-yl)-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-2-oxoacetohydrazonoylcyanide 

[1]ACSInfectiousDiseases,2019,vol.5,p.460-472

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