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Home Fluorides 54672-11-6
54672-11-6,MFCD00100093
Catalog No.:AA00DKJB

54672-11-6 | 2-Morpholino-5-nitrobenzotrifluoride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$40.00   $28.00
- +
1g
97%
in stock  
$54.00   $38.00
- +
5g
97%
in stock  
$145.00   $102.00
- +
25g
97%
in stock  
$477.00   $334.00
- +
100g
97%
in stock  
$1,407.00   $985.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DKJB
Chemical Name:
2-Morpholino-5-nitrobenzotrifluoride
CAS Number:
54672-11-6
Molecular Formula:
C11H11F3N2O3
Molecular Weight:
276.2118
MDL Number:
MFCD00100093
SMILES:
[O-][N+](=O)c1ccc(c(c1)C(F)(F)F)N1CCOCC1
Properties
Computed Properties
 
Complexity:
326  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Rotatable Bond Count:
1  
XLogP3:
2.4  

Downstream Synthesis Route

[1]EuropeanJournalofMedicinalChemistry,2017,vol.130,p.86-106

[2]OrganicandBiomolecularChemistry,2017,vol.15,p.3455-3465

[3]JournalofChemicalInformationandModeling,2017,vol.57,p.1439-1452

[4]EuropeanJournalofMedicinalChemistry,2019,vol.163,p.243-255

[5]Patent:US2008/227784,2008,A1.Locationinpatent:Page/Pagecolumn32

[6]Patent:WO2014/12360,2014,A1.Locationinpatent:Paragraph00462

[7]Patent:US2015/87639,2015,A1.Locationinpatent:Paragraph0794

[8]Patent:TWI607995,2017,B.Locationinpatent:Page/Pagecolumn170

[9]JournaloftheChemicalSociety.PerkintransactionsII,1994,p.443-450

[10]Patent:WO2007/4749,2007,A1.Locationinpatent:Page/Pagecolumn125-126

[11]BioorganicandMedicinalChemistry,2010,vol.18,p.7150-7163

[12]Patent:WO2016/49774,2016,A1.Locationinpatent:Paragraph0122;0123

[1]Patent:EP946508,2009,B1.Locationinpatent:Page/Pagecolumn95

[2]Patent:WO2014/12360,2014,A1.Locationinpatent:Paragraph00464

[3]Patent:US2015/87639,2015,A1.Locationinpatent:Paragraph0795

[4]Patent:TWI607995,2017,B.Locationinpatent:Page/Pagecolumn170

[5]Patent:US2008/227784,2008,A1.Locationinpatent:Page/Pagecolumn43

[6]Patent:WO2007/4749,2007,A1.Locationinpatent:Page/Pagecolumn125-126

[7]BioorganicandMedicinalChemistry,2010,vol.18,p.7150-7163

[8]Patent:WO2016/49774,2016,A1.Locationinpatent:Paragraph0122;0123

[9]EuropeanJournalofMedicinalChemistry,2017,vol.130,p.86-106

[10]OrganicandBiomolecularChemistry,2017,vol.15,p.3455-3465

[11]JournalofChemicalInformationandModeling,2017,vol.57,p.1439-1452

[12]EuropeanJournalofMedicinalChemistry,2019,vol.163,p.243-255

Literature
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SDS
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Tags:54672-11-6 Molecular Formula|54672-11-6 MDL|54672-11-6 SMILES|54672-11-6 2-Morpholino-5-nitrobenzotrifluoride