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885068-76-8,MFCD11167799
Catalog No.:AA019T74

885068-76-8 | (3-bromophenyl)difluoroacetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
>98%
in stock  
$100.00   $70.00
- +
250mg
>98%
in stock  
$131.00   $92.00
- +
1g
95%
in stock  
$268.00   $188.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA019T74
Chemical Name:
(3-bromophenyl)difluoroacetic acid
CAS Number:
885068-76-8
Molecular Formula:
C8H5BrF2O2
Molecular Weight:
251.0249
MDL Number:
MFCD11167799
SMILES:
Brc1cccc(c1)C(C(=O)O)(F)F
Properties
Computed Properties
 
Complexity:
208  
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:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.8  

Downstream Synthesis Route

[1]CurrentPatentAssignee:CULLGENSHANGHAI-WO2022/73469,2022,A1Locationinpatent:Paragraph1957-1959

[2]CurrentPatentAssignee:CULLGENSHANGHAI-WO2022/73469,2022,A1Locationinpatent:Paragraph1957-1959

[3]CurrentPatentAssignee:SANOFI-WO2006/44732,2006,A2Locationinpatent:Page/Pagecolumn206

[4]CurrentPatentAssignee:SANOFI-WO2008/39882,2008,A1Locationinpatent:Page/Pagecolumn205

[5]Wang,Pingyang;Du,Pengcheng;Sun,Qianqian;Zhang,Jianhua;Deng,Hongmei;Jiang,Haizhen[OrganicandBiomolecularChemistry,2021,vol.19,#9,p.2023-2029]

[1]CurrentPatentAssignee:SANOFI-WO2006/44732,2006,A2Locationinpatent:Page/Pagecolumn206

[2]CurrentPatentAssignee:SANOFI-WO2008/39882,2008,A1Locationinpatent:Page/Pagecolumn205

[1]CurrentPatentAssignee:TEMPESTTHERAPEUTICSINC-WO2013/134562,2013,A1Locationinpatent:Paragraph00171

[1]CurrentPatentAssignee:TEMPESTTHERAPEUTICSINC-WO2013/134562,2013,A1Locationinpatent:Paragraph00170

[1]Chen,Fei;Hashmi,A.StephenK.[OrganicLetters,2016,vol.18,#12,p.2880-2882]

Literature
Quotation Request
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SDS
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Tags:885068-76-8 Molecular Formula|885068-76-8 MDL|885068-76-8 SMILES|885068-76-8 (3-bromophenyl)difluoroacetic acid
Catalog No.: AA019T74
885068-76-8,MFCD11167799
885068-76-8 | (3-bromophenyl)difluoroacetic acid
Pack Size： 100mg
Purity： >98%
in stock
$100.00 $70.00
Pack Size： 250mg
Purity： >98%
in stock
$131.00 $92.00
Pack Size： 1g
Purity： 95%
in stock
$268.00 $188.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA019T74
Chemical Name: (3-bromophenyl)difluoroacetic acid
CAS Number: 885068-76-8
Molecular Formula: C8H5BrF2O2
Molecular Weight: 251.0249
MDL Number: MFCD11167799
SMILES: Brc1cccc(c1)C(C(=O)O)(F)F
Properties
Complexity: 208  
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: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.8  
Downstream Synthesis Route
885068-75-7    885068-76-8 

[1]CurrentPatentAssignee:CULLGENSHANGHAI-WO2022/73469,2022,A1Locationinpatent:Paragraph1957-1959

[2]CurrentPatentAssignee:CULLGENSHANGHAI-WO2022/73469,2022,A1Locationinpatent:Paragraph1957-1959

[3]CurrentPatentAssignee:SANOFI-WO2006/44732,2006,A2Locationinpatent:Page/Pagecolumn206

[4]CurrentPatentAssignee:SANOFI-WO2008/39882,2008,A1Locationinpatent:Page/Pagecolumn205

[5]Wang,Pingyang;Du,Pengcheng;Sun,Qianqian;Zhang,Jianhua;Deng,Hongmei;Jiang,Haizhen[OrganicandBiomolecularChemistry,2021,vol.19,#9,p.2023-2029]

885068-76-8    885068-77-9 

[1]CurrentPatentAssignee:SANOFI-WO2006/44732,2006,A2Locationinpatent:Page/Pagecolumn206

[2]CurrentPatentAssignee:SANOFI-WO2008/39882,2008,A1Locationinpatent:Page/Pagecolumn205

885068-76-8    1454928-56-3    1454925-77-9 

[1]CurrentPatentAssignee:TEMPESTTHERAPEUTICSINC-WO2013/134562,2013,A1Locationinpatent:Paragraph00171

150529-73-0    885068-76-8 

[1]CurrentPatentAssignee:TEMPESTTHERAPEUTICSINC-WO2013/134562,2013,A1Locationinpatent:Paragraph00170

591-18-4    667-27-6    885068-76-8 

[1]Chen,Fei;Hashmi,A.StephenK.[OrganicLetters,2016,vol.18,#12,p.2880-2882]

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