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Home Fluorides 781-94-2
781-94-2,MFCD20501921
Catalog No.:AA0054MM

781-94-2 | 6-(Trifluoromethyl)-2,4-dihydro-1h-3,1-benzoxazine-2,4-dione

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Purity
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Price(USD)
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1g
in stock  
$464.00   $325.00
- +
5g
in stock  
$1,451.00   $1,016.00
- +
25g
in stock  
$4,358.00   $3,050.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0054MM
Chemical Name:
6-(Trifluoromethyl)-2,4-dihydro-1h-3,1-benzoxazine-2,4-dione
CAS Number:
781-94-2
Molecular Formula:
C9H4F3NO3
Molecular Weight:
231.1282
MDL Number:
MFCD20501921
SMILES:
O=c1oc(=O)c2c([nH]1)ccc(c2)C(F)(F)F
Properties
Computed Properties
 
Complexity:
329  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
XLogP3:
1.9  

Downstream Synthesis Route

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2007/38571,2007,A2Locationinpatent:Page/Pagecolumn122

[1]Patent:WO2013/64465,2013,A1.Locationinpatent:Page/Pagecolumn187

[2]Patent:US2013/116234,2013,A1.Locationinpatent:Paragraph1049;1050

[1]JournalofMedicinalChemistry,2017,vol.60,p.8858-8875

[2]Patent:WO2013/64465,2013,A1.Locationinpatent:Page/Pagecolumn186-187

[3]Patent:US2013/116234,2013,A1.Locationinpatent:Paragraph1047;1048

[4]Patent:WO2015/9930,2015,A2.Locationinpatent:Paragraph00290-00291

[5]JournalofAgriculturalandFoodChemistry,2015,vol.63,p.6883-6889

Literature
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SDS
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Tags:781-94-2 Molecular Formula|781-94-2 MDL|781-94-2 SMILES|781-94-2 6-(Trifluoromethyl)-2,4-dihydro-1h-3,1-benzoxazine-2,4-dione