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Home Fluorides 112897-97-9
112897-97-9,MFCD00010320
Catalog No.:AA007RLY

112897-97-9 | Trans-3,4-difluorocinnamic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$8.00   $6.00
- +
5g
97%
in stock  
$15.00   $11.00
- +
25g
97%
in stock  
$28.00   $20.00
- +
100g
97%
in stock  
$105.00   $74.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA007RLY
Chemical Name:
Trans-3,4-difluorocinnamic acid
CAS Number:
112897-97-9
Molecular Formula:
C9H6F2O2
Molecular Weight:
184.1395
MDL Number:
MFCD00010320
SMILES:
OC(=O)/C=C/c1ccc(c(c1)F)F
Properties
Computed Properties
 
Complexity:
216  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.1  

Upstream Synthesis Route

[1]Tetrahedron,2016,vol.72,#46,p.7256-7262

[2]MolecularCrystalsandLiquidCrystals,2010,vol.528,p.138-146

[3]ChemicalBiologyandDrugDesign,2013,vol.81,#2,p.275-283

[4]BioorganicandMedicinalChemistry,2017,vol.25,#20,p.5726-5732

[1]Patent:US2003/148888,2003,A1,

[2]Patent:US2003/120105,2003,A1,

[1]RussianJournalofOrganicChemistry,1997,vol.33,#4,p.563-564

[1]MolecularCrystalsandLiquidCrystals,2010,vol.528,p.138-146

[1]Tetrahedron,2016,vol.72,#46,p.7256-7262

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2007,vol.50,p.1727-1730

[2]Tetrahedron,2002,vol.58,p.5761-5766

[1]BioorganicandMedicinalChemistry,2017,vol.25,p.5726-5732

[2]Patent:CN110894184,2020,A.Locationinpatent:Paragraph0045-0048

[3]BioorganicandMedicinalChemistryLetters,2018,vol.28,p.1417-1422

[4]JournaloftheAmericanChemicalSociety,2018,vol.140,p.8037-8047

[5]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.6013-6018

[6]Patent:WO2013/144295,2013,A1.Locationinpatent:Page/Pagecolumn23

[7]BioorganicandMedicinalChemistryLetters,2014,vol.24,p.2309-2314

[8]EuropeanJournalofMedicinalChemistry,2015,vol.101,p.573-583

[9]BioorganicandMedicinalChemistryLetters,2016,vol.26,p.2957-2964

[10]EuropeanJournalofMedicinalChemistry,2019,vol.167,p.414-425

112897-97-9   
C20H17ClF2NO3PS 

[1]JournalofMedicinalChemistry,2007,vol.50,p.1727-1730

112897-97-9   
C19H17ClF2NO3PS 

[1]JournalofMedicinalChemistry,2007,vol.50,p.1727-1730

[1]JournalofMedicinalChemistry,2007,vol.50,p.1727-1730

Literature
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SDS
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