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268734-34-5,MFCD09264509
Catalog No.:AA007MFW

268734-34-5 | Methyl 4-cyano-3-fluorobenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$8.00   $6.00
- +
1g
97%
in stock  
$17.00   $12.00
- +
5g
97%
in stock  
$65.00   $46.00
- +
25g
97%
in stock  
$310.00   $217.00
- +
100g
98%
in stock  
$992.00   $695.00
- +
  • 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:
AA007MFW
Chemical Name:
Methyl 4-cyano-3-fluorobenzoate
CAS Number:
268734-34-5
Molecular Formula:
C9H6FNO2
Molecular Weight:
179.1478
MDL Number:
MFCD09264509
SMILES:
COC(=O)c1ccc(c(c1)F)C#N
Properties
Computed Properties
 
Complexity:
245  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
2  
XLogP3:
1.6  

Upstream Synthesis Route

[1]ChemMedChem,2017,vol.12,#23,p.1953-1968

[1]JournalofOrganicChemistry,2008,vol.73,#18,p.7102-7107

[2]Patent:WO2004/67529,2004,A1,.Locationinpatent:Page173

[1]Patent:WO2009/80663,2009,A1,.Locationinpatent:Page/Pagecolumn96-97

[2]Patent:WO2009/43889,2009,A2,.Locationinpatent:Page/Pagecolumn111-112

[1]Patent:US2002/115640,2002,A1,

[2]Patent:US2003/87940,2003,A1,

[1]ChemMedChem,2017,vol.12,#23,p.1953-1968

[2]Patent:US2008/119457,2008,A1,.Locationinpatent:Page/Pagecolumn51

Downstream Synthesis Route
104-86-9    268734-34-5   
6-(p-chlorophenyl)methylaminocarbonyl-3-amino-1,2-benzisoxazole 

[1]JournalofOrganicChemistry,2000,vol.65,p.2924-2932

[1]Organicletters,2003,vol.5,p.7-10

268734-34-5   
methyl3-aminobenzodisoxazole-6-carboxylate 

[1]TetrahedronLetters,2002,vol.43,p.8777-8779

268734-34-5   
4-(4-cyano-3-fluoro-benzoyl)-piperazine-1-carboxylicacid<i>tert</i>-butylester 

[1]Organicletters,2003,vol.5,p.7-10

268734-34-5   
4-(piperazinocarbonyl)-2-fluorobenzonitrile 

[1]Organicletters,2003,vol.5,p.7-10

Literature
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SDS
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