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170108-05-1,MFCD09835210
Catalog No.:AA00AC0N

170108-05-1 | 2-Bromo-3,4-difluorobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$6.00   $4.00
- +
250mg
98%
in stock  
$7.00   $5.00
- +
1g
98%
in stock  
$13.00   $9.00
- +
5g
98%
in stock  
$39.00   $27.00
- +
10g
98%
in stock  
$72.00   $50.00
- +
25g
97%
in stock  
$143.00   $100.00
- +
100g
97%
in stock  
$527.00 $369.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00AC0N
Chemical Name:
2-Bromo-3,4-difluorobenzoic acid
CAS Number:
170108-05-1
Molecular Formula:
C7H3BrF2O2
Molecular Weight:
236.9983
MDL Number:
MFCD09835210
SMILES:
OC(=O)c1ccc(c(c1Br)F)F
Properties
Computed Properties
 
Complexity:
188  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.3  

Downstream Synthesis Route

[1]Patent:WO2018/30550,2018,A1.Locationinpatent:Paragraph0635

[2]JournalofMedicinalChemistry,2017,vol.60,p.3352-3371

[3]Patent:WO2014/37480,2014,A1.Locationinpatent:Page/Pagecolumn138

[4]Patent:US2015/31687,2015,A1.Locationinpatent:Paragraph0495;0496

[1]Patent:WO2014/37480,2014,A1

[2]Patent:US2015/31687,2015,A1

[3]JournalofMedicinalChemistry,2017,vol.60,p.3352-3371

[4]Patent:WO2019/1420,2019,A1

[5]Patent:WO2020/1448,2020,A1

170108-05-1    100-46-9   
N-benzyl-2-bromo-4,5-difluorobenzamide 

[1]EuropeanJournalofOrganicChemistry,2016,vol.2016,p.389-393

170108-05-1    100-46-9   
5-benzyl-2,3,8,9-tetrafluorophenanthridin-6(5H)-one 

[1]EuropeanJournalofOrganicChemistry,2016,vol.2016,p.389-393

170108-05-1   
C16H12BrF2N3O2S 

[1]JournalofMedicinalChemistry,2017,vol.60,p.3352-3371

Literature
Quotation Request
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SDS
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Tags:170108-05-1 Molecular Formula|170108-05-1 MDL|170108-05-1 SMILES|170108-05-1 2-Bromo-3,4-difluorobenzoic acid
Catalog No.: AA00AC0N
170108-05-1,MFCD09835210
170108-05-1 | 2-Bromo-3,4-difluorobenzoic acid
Pack Size： 100mg
Purity： 98%
in stock
$6.00 $4.00
Pack Size： 250mg
Purity： 98%
in stock
$7.00 $5.00
Pack Size： 1g
Purity： 98%
in stock
$13.00 $9.00
Pack Size： 5g
Purity： 98%
in stock
$39.00 $27.00
Pack Size： 10g
Purity： 98%
in stock
$72.00 $50.00
Pack Size： 25g
Purity： 97%
in stock
$143.00 $100.00
Pack Size： 100g
Purity： 97%
in stock
$527.00 $369.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00AC0N
Chemical Name: 2-Bromo-3,4-difluorobenzoic acid
CAS Number: 170108-05-1
Molecular Formula: C7H3BrF2O2
Molecular Weight: 236.9983
MDL Number: MFCD09835210
SMILES: OC(=O)c1ccc(c(c1Br)F)F
Properties
Complexity: 188  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.3  
Downstream Synthesis Route
170108-05-1    1578156-19-0 

[1]Patent:WO2018/30550,2018,A1.Locationinpatent:Paragraph0635

[2]JournalofMedicinalChemistry,2017,vol.60,p.3352-3371

[3]Patent:WO2014/37480,2014,A1.Locationinpatent:Page/Pagecolumn138

[4]Patent:US2015/31687,2015,A1.Locationinpatent:Paragraph0495;0496

170108-05-1    1578156-21-4 

[1]Patent:WO2014/37480,2014,A1

[2]Patent:US2015/31687,2015,A1

[3]JournalofMedicinalChemistry,2017,vol.60,p.3352-3371

[4]Patent:WO2019/1420,2019,A1

[5]Patent:WO2020/1448,2020,A1

170108-05-1    100-46-9   
N-benzyl-2-bromo-4,5-difluorobenzamide 

[1]EuropeanJournalofOrganicChemistry,2016,vol.2016,p.389-393

170108-05-1    100-46-9   
5-benzyl-2,3,8,9-tetrafluorophenanthridin-6(5H)-one 

[1]EuropeanJournalofOrganicChemistry,2016,vol.2016,p.389-393

170108-05-1   
C16H12BrF2N3O2S 

[1]JournalofMedicinalChemistry,2017,vol.60,p.3352-3371

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