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1119807-17-8,MFCD27578513
Catalog No.:AA00HC9B

1119807-17-8 | methyl (2E)-3-[6-(trifluoromethyl)pyridin-3-yl]prop-2-enoate

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Purity
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1g
98%
in stock  
$760.00   $532.00
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5g
98%
in stock  
$2,007.00   $1,405.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00HC9B
Chemical Name:
methyl (2E)-3-[6-(trifluoromethyl)pyridin-3-yl]prop-2-enoate
CAS Number:
1119807-17-8
Molecular Formula:
C10H8F3NO2
Molecular Weight:
231.1712
MDL Number:
MFCD27578513
SMILES:
COC(=O)/C=C/c1ccc(nc1)C(F)(F)F
Properties
Computed Properties
 
Complexity:
276  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
3  
XLogP3:
2.1  

Downstream Synthesis Route

[1]Patent:US2009/76020,2009,A1.Locationinpatent:Page/Pagecolumn41

[1]JournalofMedicinalChemistry,2019,vol.62,p.3503-3512

Literature
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SDS
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Tags:1119807-17-8 Molecular Formula|1119807-17-8 MDL|1119807-17-8 SMILES|1119807-17-8 methyl (2E)-3-[6-(trifluoromethyl)pyridin-3-yl]prop-2-enoate