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13671-00-6,MFCD00051778
Catalog No.:AA00126W

13671-00-6 | Methyl 2,6-difluorobenzoate

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5g
98%
in stock  
$7.00   $5.00
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10g
98%
in stock  
$11.00   $8.00
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25g
98%
in stock  
$18.00   $13.00
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100g
98%
in stock  
$66.00   $47.00
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500g
98%
in stock  
$271.00   $190.00
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  • 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:
AA00126W
Chemical Name:
Methyl 2,6-difluorobenzoate
CAS Number:
13671-00-6
Molecular Formula:
C8H6F2O2
Molecular Weight:
172.1288
MDL Number:
MFCD00051778
SMILES:
COC(=O)c1c(F)cccc1F
Properties
Computed Properties
 
Complexity:
162  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
2  
XLogP3:
2  

Upstream Synthesis Route

[1]Tetrahedron,2012,vol.68,#24,p.4701-4709

[1]OrganicProcessResearchandDevelopment,2016,vol.20,#2,p.233-241

[2]MedicinalChemistryResearch,2016,vol.25,#4,p.627-643

[3]Patent:WO2011/59610,2011,A1,.Locationinpatent:Page/Pagecolumn101-102

[4]Patent:WO2013/71865,2013,A1,.Locationinpatent:Page/Pagecolumn25

[5]Patent:CN103102349,2017,B,.Locationinpatent:Paragraph0147-0149

[6]BioorganicandMedicinalChemistryLetters,2013,vol.23,#4,p.1017-1021

[1]Tetrahedron,2012,vol.68,#24,p.4701-4709

[1]EuropeanJournalofOrganicChemistry,2002,#19,p.3351-3358

[1]JournaloftheChemicalSociety,ChemicalCommunications,1987,#12,p.904-905

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1968,vol.11,p.814-819

[2]JournalofPhysicalOrganicChemistry,2012,vol.25,p.267-270

[1]CollectionofCzechoslovakChemicalCommunications,1989,vol.54,p.1363-1369

[1]EuropeanJournalofOrganicChemistry,2002,p.3351-3358

[2]JournalofMedicinalChemistry,1968,vol.11,p.814-819

[1]JournaloftheChemicalSociety.Chemicalcommunications,1987,p.904-905

[1]JournalofMedicinalChemistry,1968,vol.11,p.814-819

Literature
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SDS
Tags:13671-00-6 Molecular Formula|13671-00-6 MDL|13671-00-6 SMILES|13671-00-6 Methyl 2,6-difluorobenzoate |Halogenated_Heterocycles