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1960-77-6,MFCD00117941
Catalog No.:AA00AP50

1960-77-6 | 2-Cyano-n-[3-(trifluoromethyl)phenyl]acetamide

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1g
95%
in stock  
$74.00   $52.00
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5g
95%
in stock  
$245.00   $171.00
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  • Technical Information
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  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00AP50
Chemical Name:
2-Cyano-n-[3-(trifluoromethyl)phenyl]acetamide
CAS Number:
1960-77-6
Molecular Formula:
C10H7F3N2O
Molecular Weight:
228.1706
MDL Number:
MFCD00117941
SMILES:
N#CCC(=O)Nc1cccc(c1)C(F)(F)F
NSC Number:
621366
Properties
Computed Properties
 
Complexity:
305  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3  

Downstream Synthesis Route

[1]Schaper,Wolfgang[Synthesis,1985,#9,p.861-867]

[1]Schellhase;Bohm;Pech[Pharmazie,1984,vol.39,#1,p.19-21]

[2]Nikolakopoulos,George;Figler,Heidi;Linden,Joel;Scammells,PeterJ.[BioorganicandMedicinalChemistry,2006,vol.14,#7,p.2358-2365]

[3]Chojnacki,Michaelle;Cao,Xufeng;Flaherty,DanielP.;Dunman,PaulM.[Antibiotics,2021,vol.10,#4]

[1]Sjogren,EricB.;Rider,MichaelA.;Nelson,PeterH.;Bingham,Stanford;Poulton,AnthonyL.;etal.[JournalofMedicinalChemistry,1991,vol.34,#11,p.3295-3301]

[2]Kumar,Sukeerthi;Thakur,RajniR.;Margal,SanjayR.;Thomas,Abraham[Tetrahedron,2013,vol.69,#25,p.5112-5118]

[3]Endo,Satoshi;Oguri,Hiroaki;Segawa,Jin;Kawai,Mina;Hu,Dawei;Xia,Shuang;Okada,Takuya;Irie,Katsumasa;Fujii,Shinya;Gouda,Hiroaki;Iguchi,Kazuhiro;Matsukawa,Takuo;Fujimoto,Naohiro;Nakayama,Toshiyuki;Toyooka,Naoki;Matsunaga,Toshiyuki;Ikari,Akira[JournalofMedicinalChemistry,2020,vol.63,#18,p.10396-10411]

[4]Chojnacki,Michaelle;Cao,Xufeng;Flaherty,DanielP.;Dunman,PaulM.[Antibiotics,2021,vol.10,#4]

[1]Schellhase;Bohm;Pech[Pharmazie,1984,vol.39,#1,p.19-21]

[2]Kiselyov,AlexanderS.;Piatnitski,EvgueniL.;Samet,AlexanderV.;Kisliy,VictorP.;Semenov,VictorV.[BioorganicandMedicinalChemistryLetters,2007,vol.17,#5,p.1369-1375]

[3]Locationinpatent:schemeortableKiselyov,AlexanderS.;Semenova,Marina;Semenov,VictorV.[BioorganicandMedicinalChemistryLetters,2009,vol.19,#4,p.1195-1198]

[1]Sjogren,EricB.;Rider,MichaelA.;Nelson,PeterH.;Bingham,Stanford;Poulton,AnthonyL.;etal.[JournalofMedicinalChemistry,1991,vol.34,#11,p.3295-3301]

Literature
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Tags:1960-77-6 Molecular Formula|1960-77-6 MDL|1960-77-6 SMILES|1960-77-6 2-Cyano-n-[3-(trifluoromethyl)phenyl]acetamide