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116419-36-4,MFCD00297307
Catalog No.:AA000CCP

116419-36-4 | (3-Nitro-1h-1,2,4-triazol-1-yl)acetic acid

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1g
95%
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$123.00   $86.00
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  • Technical Information
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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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Technical Information
Catalog Number:
AA000CCP
Chemical Name:
(3-Nitro-1h-1,2,4-triazol-1-yl)acetic acid
CAS Number:
116419-36-4
Molecular Formula:
C4H4N4O4
Molecular Weight:
172.0990
MDL Number:
MFCD00297307
SMILES:
OC(=O)Cn1cnc(n1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
202  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
-0.7  

Downstream Synthesis Route
116419-36-4   
C4H3(2)HN4O4 
 
C4H2(2)H2N4O4 

[1]Nagao,Yoshimitsu;Sano,Shigeki;Oxhiai,Masahito;Fujita,Eichi[Tetrahedron,1990,vol.46,#9,p.3211-3232]

[1]Nagao,Yoshimitsu;Sano,Shigeki;Oxhiai,Masahito;Fujita,Eichi[Tetrahedron,1990,vol.46,#9,p.3211-3232]

[2]Ho,SooYei;Alam,Jenefer;Jeyaraj,DuraiswamyAthisayamani;Wang,Weiling;Lin,GraceRuiting;Ang,ShiHua;Tan,EldwinSumWai;Lee,MayAnn;Ke,Zhiyuan;Madan,Babita;Virshup,DavidM.;Ding,LiJun;Manoharan,Vithya;Chew,YunShan;Low,ChoonBing;Pendharkar,Vishal;Sangthongpitag,Kanda;Hill,Jeffrey;Keller,ThomasH.;Poulsen,Anders[JournalofMedicinalChemistry,2017,vol.60,#15,p.6678-6692]

[3]Kofman;Trubitsyn;Dmitrienko;Glazkova;Tselinskii[RussianJournalofOrganicChemistry,2007,vol.43,#5,p.758-764]

116419-36-4   
(3-nitro-1,2,4triazol-1-yl)-acetylchloride 

[1]Trukhacheva;Levina;Grigor'ev;Arzamastsev;Dalinger;Vatsadze;Popova;Shevelev;Granik[RussianChemicalBulletin,2005,vol.54,#12,p.2813-2819]

[1]Mathur,Anupam;Mallia,MadhavaB.;Banerjee,Sharmila;Sarma;Pillai[BioorganicandMedicinalChemistryLetters,2013,vol.23,#5,p.1394-1397]

193017-26-4    116419-36-4   
2-(3-nitro-1H-1,2,4-triazol-1-yl)-N-(4-(thiazol-2-yl)phenyl)acetamide 

[1]Ho,SooYei;Alam,Jenefer;Jeyaraj,DuraiswamyAthisayamani;Wang,Weiling;Lin,GraceRuiting;Ang,ShiHua;Tan,EldwinSumWai;Lee,MayAnn;Ke,Zhiyuan;Madan,Babita;Virshup,DavidM.;Ding,LiJun;Manoharan,Vithya;Chew,YunShan;Low,ChoonBing;Pendharkar,Vishal;Sangthongpitag,Kanda;Hill,Jeffrey;Keller,ThomasH.;Poulsen,Anders[JournalofMedicinalChemistry,2017,vol.60,#15,p.6678-6692]

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Tags:116419-36-4 Molecular Formula|116419-36-4 MDL|116419-36-4 SMILES|116419-36-4 (3-Nitro-1h-1,2,4-triazol-1-yl)acetic acid