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1057961-75-7,MFCD08703424
Catalog No.:AA008Z01

1057961-75-7 | tert-Butyl 4-bromo-3-fluorobenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$22.00   $16.00
- +
1g
98%
in stock  
$51.00   $36.00
- +
5g
98%
in stock  
$248.00   $174.00
- +
10g
98%
in stock  
$448.00   $314.00
- +
25g
98%
in stock  
$1,043.00 $730.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA008Z01
Chemical Name:
tert-Butyl 4-bromo-3-fluorobenzoate
CAS Number:
1057961-75-7
Molecular Formula:
C11H12BrFO2
Molecular Weight:
275.1142
MDL Number:
MFCD08703424
SMILES:
O=C(c1ccc(c(c1)F)Br)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
237  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.6  

Downstream Synthesis Route
24424-99-5    153556-42-4   
tert-butyl4-bromo-3-fluorobenzoate 

[1]Patent:WO2016/97004,2016,A1.Locationinpatent:Page/Pagecolumn114

[2]Patent:WO2018/39386,2018,A1.Locationinpatent:Page/Pagecolumn136;137

[3]Patent:WO2018/39384,2018,A1.Locationinpatent:Paragraph00345

[1]CurrentPatentAssignee:UNIVERSITYOFLONDON-WO2016/97004,2016,A1Locationinpatent:Page/Pagecolumn114;115

[1]CurrentPatentAssignee:MERCK&COINC-US2018/16239,2018,A1

[1]CurrentPatentAssignee:MERCK&COINC-US2018/16239,2018,A1

[1]CurrentPatentAssignee:MERCK&COINC-US2018/16239,2018,A1

Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
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Quantity Required:
*
Country:
Additional Info:
Submit
SDS
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Tags:1057961-75-7 Molecular Formula|1057961-75-7 MDL|1057961-75-7 SMILES|1057961-75-7 tert-Butyl 4-bromo-3-fluorobenzoate
Catalog No.: AA008Z01
1057961-75-7,MFCD08703424
1057961-75-7 | tert-Butyl 4-bromo-3-fluorobenzoate
Pack Size： 250mg
Purity： 98%
in stock
$22.00 $16.00
Pack Size： 1g
Purity： 98%
in stock
$51.00 $36.00
Pack Size： 5g
Purity： 98%
in stock
$248.00 $174.00
Pack Size： 10g
Purity： 98%
in stock
$448.00 $314.00
Pack Size： 25g
Purity： 98%
in stock
$1,043.00 $730.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA008Z01
Chemical Name: tert-Butyl 4-bromo-3-fluorobenzoate
CAS Number: 1057961-75-7
Molecular Formula: C11H12BrFO2
Molecular Weight: 275.1142
MDL Number: MFCD08703424
SMILES: O=C(c1ccc(c(c1)F)Br)OC(C)(C)C
Properties
Complexity: 237  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.6  
Downstream Synthesis Route
24424-99-5    153556-42-4   
tert-butyl4-bromo-3-fluorobenzoate 

[1]Patent:WO2016/97004,2016,A1.Locationinpatent:Page/Pagecolumn114

[2]Patent:WO2018/39386,2018,A1.Locationinpatent:Page/Pagecolumn136;137

[3]Patent:WO2018/39384,2018,A1.Locationinpatent:Paragraph00345

124-38-9    1057961-75-7    1952276-57-1 

[1]CurrentPatentAssignee:UNIVERSITYOFLONDON-WO2016/97004,2016,A1Locationinpatent:Page/Pagecolumn114;115

1057961-75-7    1980784-43-7 

[1]CurrentPatentAssignee:MERCK&COINC-US2018/16239,2018,A1

1057961-75-7    1980784-44-8 

[1]CurrentPatentAssignee:MERCK&COINC-US2018/16239,2018,A1

1057961-75-7    1980784-45-9 

[1]CurrentPatentAssignee:MERCK&COINC-US2018/16239,2018,A1

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