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160434-49-1,MFCD00143095
Catalog No.:AA001RTO

160434-49-1 | 3-Bromo-4-fluorocinnamic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$23.00   $16.00
- +
5g
98%
in stock  
$32.00   $23.00
- +
25g
98%
in stock  
$91.00   $64.00
- +
100g
98%
in stock  
$270.00 $189.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001RTO
Chemical Name:
3-Bromo-4-fluorocinnamic acid
CAS Number:
160434-49-1
Molecular Formula:
C9H6BrFO2
Molecular Weight:
245.0451
MDL Number:
MFCD00143095
SMILES:
OC(=O)C=Cc1ccc(c(c1)Br)F
Properties
Properties
 
BP:
337.4°C at 760 mmHg  
Form:
Solid  
MP:
189-192 °C  
Refractive Index:
1.4240 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
218  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.7  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2009,vol.52,p.6474-6483

[1]ChemicalandPharmaceuticalBulletin,2014,vol.62,p.415-421

[1]ChemicalandPharmaceuticalBulletin,2014,vol.62,p.415-421

[2]Patent:US2015/291563,2015,A1.Locationinpatent:Page/Pagecolumn0155;0156

[1]ChemicalandPharmaceuticalBulletin,2014,vol.62,p.415-421

[1]ChemicalandPharmaceuticalBulletin,2014,vol.62,p.415-421

Literature
Quotation Request
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Additional Info:
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SDS
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Tags:160434-49-1 Molecular Formula|160434-49-1 MDL|160434-49-1 SMILES|160434-49-1 3-Bromo-4-fluorocinnamic acid
Catalog No.: AA001RTO
160434-49-1,MFCD00143095
160434-49-1 | 3-Bromo-4-fluorocinnamic acid
Pack Size： 1g
Purity： 98%
in stock
$23.00 $16.00
Pack Size： 5g
Purity： 98%
in stock
$32.00 $23.00
Pack Size： 25g
Purity： 98%
in stock
$91.00 $64.00
Pack Size： 100g
Purity： 98%
in stock
$270.00 $189.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001RTO
Chemical Name: 3-Bromo-4-fluorocinnamic acid
CAS Number: 160434-49-1
Molecular Formula: C9H6BrFO2
Molecular Weight: 245.0451
MDL Number: MFCD00143095
SMILES: OC(=O)C=Cc1ccc(c(c1)Br)F
Properties
BP: 337.4°C at 760 mmHg  
Form: Solid  
MP: 189-192 °C  
Refractive Index: 1.4240 (estimate)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 218  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.7  
Downstream Synthesis Route
64-17-5    160434-49-1    1147334-61-9 

[1]JournalofMedicinalChemistry,2009,vol.52,p.6474-6483

160434-49-1    1637568-93-4 

[1]ChemicalandPharmaceuticalBulletin,2014,vol.62,p.415-421

160434-49-1    859505-71-8 

[1]ChemicalandPharmaceuticalBulletin,2014,vol.62,p.415-421

[2]Patent:US2015/291563,2015,A1.Locationinpatent:Page/Pagecolumn0155;0156

160434-49-1    859505-60-5 

[1]ChemicalandPharmaceuticalBulletin,2014,vol.62,p.415-421

160434-49-1    859505-68-3 

[1]ChemicalandPharmaceuticalBulletin,2014,vol.62,p.415-421

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