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Home Bromides 1184174-04-6
1184174-04-6,MFCD16987729
Catalog No.:AA00HEGE

1184174-04-6 | 3-(4-Bromophenyl)-1-methyl-1H-1,2,4-triazole

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Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$119.00   $83.00
- +
250mg
95%
in stock  
$203.00   $142.00
- +
500mg
95%
in stock  
$302.00   $212.00
- +
1g
95%
in stock  
$454.00   $318.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00HEGE
Chemical Name:
3-(4-Bromophenyl)-1-methyl-1H-1,2,4-triazole
CAS Number:
1184174-04-6
Molecular Formula:
C9H8BrN3
Molecular Weight:
238.0839
MDL Number:
MFCD16987729
SMILES:
Brc1ccc(cc1)c1ncn(n1)C
Properties
Computed Properties
 
Complexity:
168  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
2.4  

Downstream Synthesis Route

[1]CurrentPatentAssignee:MERCK&COINC-WO2016/100147,2016,A1

[2]CurrentPatentAssignee:MERCK&COINC-WO2016/100152,2016,A1

[3]CurrentPatentAssignee:MERCK&COINC-WO2017/40362,2017,A1

[4]Boga,SobhanaBabu;Deng,Yongqi;Zhu,Liang;Nan,Yang;Cooper,AlanB.;Shipps,GeraldW.;Doll,Ronald;Shih,Neng-Yang;Zhu,Hugh;Sun,Robert;Wang,Tong;Paliwal,Sunil;Tsui,Hon-Chung;Gao,Xiaolei;Yao,Xin;Desai,Jagdish;Wang,James;Alhassan,AbdulBasit;Kelly,Joseph;Patel,Mehul;Muppalla,Kiran;Gudipati,Subrahmanyam;Zhang,Li-Kang;Buevich,Alexei;Hesk,David;Carr,Donna;Dayananth,Priya;Black,Stuart;Mei,Hong;Cox,Kathleen;Sherborne,Bradley;Hruza,AlanW.;Xiao,Li;Jin,Weihong;Long,Brian;Liu,Gongjie;Taylor,StaceyA.;Kirschmeier,Paul;Windsor,WilliamT.;Bishop,Robert;Samatar,AhmedA.[ACSMedicinalChemistryLetters,2018,vol.9,#7,p.761-767]

1184174-04-6    109-07-9   
3-methyl-1-(4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)piperazine 

[1]Patent:WO2018/67512,2018,A1.Locationinpatent:Paragraph0223

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Tags:1184174-04-6 Molecular Formula|1184174-04-6 MDL|1184174-04-6 SMILES|1184174-04-6 3-(4-Bromophenyl)-1-methyl-1H-1,2,4-triazole