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Home Fluorides 13451-80-4
13451-80-4,MFCD00598871
Catalog No.:AA00AJ7L

13451-80-4 | 2-Thio-5-(trifluoromethyl)-1,3-benzoxazole

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00AJ7L
Chemical Name:
2-Thio-5-(trifluoromethyl)-1,3-benzoxazole
CAS Number:
13451-80-4
Molecular Formula:
C8H4F3NOS
Molecular Weight:
219.1837
MDL Number:
MFCD00598871
SMILES:
C1=CC2=C(C=C1C(F)(F)F)NC(=S)O2
Properties
Computed Properties
 
Complexity:
256  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
XLogP3:
2.6  

Downstream Synthesis Route

[1]Patent:WO2018/37223,2018,A1.Locationinpatent:Page/Pagecolumn67;68

[2]Patent:WO2019/204550,2019,A1.Locationinpatent:Paragraph00195

[3]JournalofMedicinalChemistry,1994,vol.37,p.913-923

[4]JournalofMedicinalChemistry,1998,vol.41,p.3015-3021

[5]BioorganicandMedicinalChemistry,2007,vol.15,p.3515-3523

[6]BioorganicandMedicinalChemistryLetters,2013,vol.23,p.1114-1119

[7]JournalofFluorineChemistry,2013,vol.156,p.120-123

[1]JournalofMedicinalChemistry,1988,vol.31,p.1719-1728

[2]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.4689-4693

[3]Patent:US4314065,1982,A

[4]Patent:WO2009/55357,2009,A1.Locationinpatent:Page/Pagecolumn37

[5]BioorganicandMedicinalChemistry,2018,vol.26,p.4001-4013

[1]MedicinalChemistryResearch,1999,vol.9,p.631-642

[1]BioorganicandMedicinalChemistry,2007,vol.15,p.3515-3523

[2]JournalofMedicinalChemistry,1998,vol.41,p.3015-3021

[3]BioorganicandMedicinalChemistry,2018,vol.26,p.4001-4013

109-01-3    22876-19-3    13451-80-4   
2-(4-methyl-1-piperazinyl)-5-trifluoromethylbenzoxazole 

[1]Patent:US6037342,2000,A

Literature
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SDS
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