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21667-61-8,MFCD02260777
Catalog No.:AA007PE1

21667-61-8 | 3-Fluorobenzoylacetonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
tech
in stock  
$86.00   $60.00
- +
5g
tech
in stock  
$229.00   $160.00
- +
10g
98%
in stock  
$408.00   $286.00
- +
25g
tech
in stock  
$658.00   $460.00
- +
100g
98%
in stock  
$1,918.00 $1,343.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007PE1
Chemical Name:
3-Fluorobenzoylacetonitrile
CAS Number:
21667-61-8
Molecular Formula:
C9H6FNO
Molecular Weight:
163.1484
MDL Number:
MFCD02260777
SMILES:
N#CCC(=O)c1cccc(c1)F
Properties
Computed Properties
 
Complexity:
218  
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:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.7  

Downstream Synthesis Route

[1]Patent:WO2008/87529,2008,A1.Locationinpatent:Page/Pagecolumn111

[2]Patent:WO2007/98826,2007,A2.Locationinpatent:Page/Pagecolumn46-47

[3]Patent:WO2010/9290,2010,A1.Locationinpatent:Page/Pagecolumn141-142

[4]JournalofMedicinalChemistry,2012,vol.55,p.10277-10281

21667-61-8    33906-30-8   
2-(3-fluorophenyl)pyrazolo1,5-aquinazolin-5(4H)-one 

[1]BioorganicandMedicinalChemistryLetters,2009,vol.19,p.4196-4200

[1]CurrentPatentAssignee:AMGENINC-US2011/152296,2011,A1Locationinpatent:Page/Pagecolumn10

[1]Patent:WO2012/87784,2012,A1.Locationinpatent:Page/Pagecolumn31

1246765-49-0    21667-61-8    208519-09-9   
C23H16ClF3N4 

[1]Hill,MatthewD.;Fang,Haiquan;Brown,JeffreyM.;Molski,Thaddeus;Easton,Amy;Han,Xiaojun;Miller,Regina;Hill-Drzewi,Melissa;Gallagher,Lizbeth;Matchett,Michele;Gulianello,Michael;Balakrishnan,Anand;Bertekap,RobertL.;Santone,KennethS.;Whiterock,ValerieJ.;Zhuo,Xiaoliang;Bronson,JoanneJ.;Macor,JohnE.;Degnan,AndrewP.[ACSMedicinalChemistryLetters,2016,vol.7,#12,p.1082-1086]

Literature
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SDS
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Tags:21667-61-8 Molecular Formula|21667-61-8 MDL|21667-61-8 SMILES|21667-61-8 3-Fluorobenzoylacetonitrile
Catalog No.: AA007PE1
21667-61-8,MFCD02260777
21667-61-8 | 3-Fluorobenzoylacetonitrile
Pack Size： 1g
Purity： tech
in stock
$86.00 $60.00
Pack Size： 5g
Purity： tech
in stock
$229.00 $160.00
Pack Size： 10g
Purity： 98%
in stock
$408.00 $286.00
Pack Size： 25g
Purity： tech
in stock
$658.00 $460.00
Pack Size： 100g
Purity： 98%
in stock
$1,918.00 $1,343.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA007PE1
Chemical Name: 3-Fluorobenzoylacetonitrile
CAS Number: 21667-61-8
Molecular Formula: C9H6FNO
Molecular Weight: 163.1484
MDL Number: MFCD02260777
SMILES: N#CCC(=O)c1cccc(c1)F
Properties
Complexity: 218  
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: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.7  
Downstream Synthesis Route
455-68-5    75-05-8    21667-61-8 

[1]Patent:WO2008/87529,2008,A1.Locationinpatent:Page/Pagecolumn111

[2]Patent:WO2007/98826,2007,A2.Locationinpatent:Page/Pagecolumn46-47

[3]Patent:WO2010/9290,2010,A1.Locationinpatent:Page/Pagecolumn141-142

[4]JournalofMedicinalChemistry,2012,vol.55,p.10277-10281

21667-61-8    33906-30-8   
2-(3-fluorophenyl)pyrazolo1,5-aquinazolin-5(4H)-one 

[1]BioorganicandMedicinalChemistryLetters,2009,vol.19,p.4196-4200

21667-61-8    55234-58-7    1312605-64-3 

[1]CurrentPatentAssignee:AMGENINC-US2011/152296,2011,A1Locationinpatent:Page/Pagecolumn10

21667-61-8    42373-30-8    1383677-14-2 

[1]Patent:WO2012/87784,2012,A1.Locationinpatent:Page/Pagecolumn31

1246765-49-0    21667-61-8    208519-09-9   
C23H16ClF3N4 

[1]Hill,MatthewD.;Fang,Haiquan;Brown,JeffreyM.;Molski,Thaddeus;Easton,Amy;Han,Xiaojun;Miller,Regina;Hill-Drzewi,Melissa;Gallagher,Lizbeth;Matchett,Michele;Gulianello,Michael;Balakrishnan,Anand;Bertekap,RobertL.;Santone,KennethS.;Whiterock,ValerieJ.;Zhuo,Xiaoliang;Bronson,JoanneJ.;Macor,JohnE.;Degnan,AndrewP.[ACSMedicinalChemistryLetters,2016,vol.7,#12,p.1082-1086]

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