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Home Fluorides 705250-75-5
705250-75-5,MFCD22124795
Catalog No.:AA00IBZS

705250-75-5 | (2E)-3-(3,5-Difluorophenyl)-2-propenoic acid, methyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$159.00   $111.00
- +
250mg
98%
in stock  
$170.00   $119.00
- +
1g
98%
in stock  
$411.00   $288.00
- +
5g
98%
in stock  
$1,407.00   $985.00
- +
25g
98%
in stock  
$5,466.00   $3,826.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IBZS
Chemical Name:
(2E)-3-(3,5-Difluorophenyl)-2-propenoic acid, methyl ester
CAS Number:
705250-75-5
Molecular Formula:
C10H8F2O2
Molecular Weight:
198.1661
MDL Number:
MFCD22124795
SMILES:
COC(=O)/C=C/c1cc(F)cc(c1)F
Properties
Computed Properties
 
Complexity:
218  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
3  
XLogP3:
2.4  

Downstream Synthesis Route

[1]Locationinpatent:experimentalpartVu,AnT.;Cohn,StephenT.;Zhang,Puwen;Kim,CallainY.;Mahaney,PaigeE.;Bray,JeniferA.;Johnston,GraceH.;Koury,ElizabethJ.;Cosmi,ScottA.;Deecher,DarleneC.;Smith,ValerieA.;Harrison,JamesE.;Leventhal,Liza;Whiteside,GarthT.;Kennedy,JeffreyD.;Trybulski,EugeneJ.[JournalofMedicinalChemistry,2010,vol.53,#5,p.2051-2062]

Literature
Quotation Request
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Additional Info:
SDS
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Tags:705250-75-5 Molecular Formula|705250-75-5 MDL|705250-75-5 SMILES|705250-75-5 (2E)-3-(3,5-Difluorophenyl)-2-propenoic acid, methyl ester