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1193162-21-8,MFCD23713110
Catalog No.:AA000IIE

1193162-21-8 | Methyl 4-bromo-2,5-difluorobenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$16.00   $12.00
- +
5g
98%
in stock  
$47.00   $33.00
- +
10g
95%
in stock  
$87.00   $61.00
- +
25g
98%
in stock  
$125.00   $87.00
- +
100g
98%
in stock  
$496.00   $347.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000IIE
Chemical Name:
Methyl 4-bromo-2,5-difluorobenzoate
CAS Number:
1193162-21-8
Molecular Formula:
C8H5BrF2O2
Molecular Weight:
251.0249
MDL Number:
MFCD23713110
SMILES:
COC(=O)c1cc(F)c(cc1F)Br
Properties
Computed Properties
 
Complexity:
201  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.7  

Downstream Synthesis Route
1193162-21-8   
CASUnavailable 
  1084953-18-3 

[1]CurrentPatentAssignee:MERCK&COINC-WO2014/26327,2014,A1Locationinpatent:Page/Pagecolumn57-58

[2]CurrentPatentAssignee:MERCK&COINC-WO2014/28589,2014,A2Locationinpatent:Page/Pagecolumn59;60

[3]CurrentPatentAssignee:INTEGRATIVERESEARCHLABORATORIESSWEDEN-WO2009/133110,2009,A1Locationinpatent:Page/Pagecolumn46

67-56-1    28314-82-1   
4-bromo-2,5-difluoro-benzoicacidmethylester 

[1]Patent:WO2014/26327,2014,A1.Locationinpatent:Page/Pagecolumn57

[2]Patent:WO2014/28589,2014,A2.Locationinpatent:Page/Pagecolumn59;60

[3]Patent:WO2015/103317,2015,A1.Locationinpatent:Page/Pagecolumn295

[4]MolecularPharmacology,2016,vol.89,p.303-312

[5]Patent:US2015/183802,2015,A1.Locationinpatent:Paragraph0986-0988

[6]Patent:WO2015/102929,2015,A1.Locationinpatent:Page/Pagecolumn117

[7]Patent:WO2018/75871,2018,A1.Locationinpatent:Page/Pagecolumn76

[8]Patent:WO2009/133110,2009,A1.Locationinpatent:Page/Pagecolumn45-46

28314-82-1   
4-bromo-2,5-difluoro-benzoicacidmethylester 

[1]Patent:WO2012/106995,2012,A1.Locationinpatent:Page/Pagecolumn51

[1]CurrentPatentAssignee:MERCK&COINC-WO2012/106995,2012,A1

[2]CurrentPatentAssignee:MERCK&COINC-WO2014/26327,2014,A1

[3]CurrentPatentAssignee:MERCK&COINC-WO2014/28589,2014,A2

[1]Wood,Martyn;Ates,Ali;Andre,VeroniqueMarie;Michel,Anne;Barnaby,Robert;Gillard,Michel[MolecularPharmacology,2016,vol.89,#2,p.303-312]

[2]CurrentPatentAssignee:MERCK&COINC-WO2012/106995,2012,A1Locationinpatent:Page/Pagecolumn51

Literature
Quotation Request
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SDS
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Tags:1193162-21-8 Molecular Formula|1193162-21-8 MDL|1193162-21-8 SMILES|1193162-21-8 Methyl 4-bromo-2,5-difluorobenzoate
Catalog No.: AA000IIE
1193162-21-8,MFCD23713110
1193162-21-8 | Methyl 4-bromo-2,5-difluorobenzoate
Pack Size： 1g
Purity： 98%
in stock
$16.00 $12.00
Pack Size： 5g
Purity： 98%
in stock
$47.00 $33.00
Pack Size： 10g
Purity： 95%
in stock
$87.00 $61.00
Pack Size： 25g
Purity： 98%
in stock
$125.00 $87.00
Pack Size： 100g
Purity： 98%
in stock
$496.00 $347.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA000IIE
Chemical Name: Methyl 4-bromo-2,5-difluorobenzoate
CAS Number: 1193162-21-8
Molecular Formula: C8H5BrF2O2
Molecular Weight: 251.0249
MDL Number: MFCD23713110
SMILES: COC(=O)c1cc(F)c(cc1F)Br
Properties
Complexity: 201  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.7  
Downstream Synthesis Route
1193162-21-8   
CASUnavailable 
  1084953-18-3 

[1]CurrentPatentAssignee:MERCK&COINC-WO2014/26327,2014,A1Locationinpatent:Page/Pagecolumn57-58

[2]CurrentPatentAssignee:MERCK&COINC-WO2014/28589,2014,A2Locationinpatent:Page/Pagecolumn59;60

[3]CurrentPatentAssignee:INTEGRATIVERESEARCHLABORATORIESSWEDEN-WO2009/133110,2009,A1Locationinpatent:Page/Pagecolumn46

67-56-1    28314-82-1   
4-bromo-2,5-difluoro-benzoicacidmethylester 

[1]Patent:WO2014/26327,2014,A1.Locationinpatent:Page/Pagecolumn57

[2]Patent:WO2014/28589,2014,A2.Locationinpatent:Page/Pagecolumn59;60

[3]Patent:WO2015/103317,2015,A1.Locationinpatent:Page/Pagecolumn295

[4]MolecularPharmacology,2016,vol.89,p.303-312

[5]Patent:US2015/183802,2015,A1.Locationinpatent:Paragraph0986-0988

[6]Patent:WO2015/102929,2015,A1.Locationinpatent:Page/Pagecolumn117

[7]Patent:WO2018/75871,2018,A1.Locationinpatent:Page/Pagecolumn76

[8]Patent:WO2009/133110,2009,A1.Locationinpatent:Page/Pagecolumn45-46

28314-82-1   
4-bromo-2,5-difluoro-benzoicacidmethylester 

[1]Patent:WO2012/106995,2012,A1.Locationinpatent:Page/Pagecolumn51

1193162-21-8    1084953-16-1 

[1]CurrentPatentAssignee:MERCK&COINC-WO2012/106995,2012,A1

[2]CurrentPatentAssignee:MERCK&COINC-WO2014/26327,2014,A1

[3]CurrentPatentAssignee:MERCK&COINC-WO2014/28589,2014,A2

1193162-21-8    1084953-18-3 

[1]Wood,Martyn;Ates,Ali;Andre,VeroniqueMarie;Michel,Anne;Barnaby,Robert;Gillard,Michel[MolecularPharmacology,2016,vol.89,#2,p.303-312]

[2]CurrentPatentAssignee:MERCK&COINC-WO2012/106995,2012,A1Locationinpatent:Page/Pagecolumn51

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