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157893-14-6,MFCD00266858
Catalog No.:AA001PQE

157893-14-6 | 3-Bromo-5-methoxybenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$19.00   $13.00
- +
5g
97%
in stock  
$35.00   $25.00
- +
10g
97%
in stock  
$69.00   $49.00
- +
25g
97%
in stock  
$137.00   $96.00
- +
100g
97%
in stock  
$546.00   $382.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001PQE
Chemical Name:
3-Bromo-5-methoxybenzoic acid
CAS Number:
157893-14-6
Molecular Formula:
C8H7BrO3
Molecular Weight:
231.0434
MDL Number:
MFCD00266858
SMILES:
COc1cc(Br)cc(c1)C(=O)O
Properties
Properties
 
BP:
338.8 °C at 760 mmHg  
Form:
Solid  
MP:
190-191℃(Solv: ethanol (64-17-5))  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
172  
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:
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:
2.9  

Upstream Synthesis Route

[1]Patent:US2009/203677,2009,A1,.Locationinpatent:Page/Pagecolumn53

[2]Patent:US2009/197871,2009,A1,.Locationinpatent:Page/Pagecolumn53

[3]Patent:WO2009/100169,2009,A1,.Locationinpatent:Page/Pagecolumn131

[4]Patent:US2014/288045,2014,A1,.Locationinpatent:Paragraph0512

[5]Patent:WO2016/44772,2016,A1,.Locationinpatent:Paragraph303;304

[1]JournalofMedicinalChemistry,2000,vol.43,#4,p.599-608

[2]JournalofMedicinalChemistry,2008,vol.51,#15,p.4685-4698

[3]BioorganicandMedicinalChemistryLetters,2018,vol.28,#23-24,p.3708-3711

[4]Patent:WO2013/57711,2013,A1,.Locationinpatent:Page/Pagecolumn52-53

[5]Patent:WO2013/88404,2013,A1,.Locationinpatent:Page/Pagecolumn99

[6]Patent:US2015/342951,2015,A1,.Locationinpatent:Paragraph0869-0870

[1]Patent:US2009/203657,2009,A1,.Locationinpatent:Page/Pagecolumn50

[1]JournaloftheChemicalSociety,1955,p.461,464

[2]JournaloftheChemicalSociety,1959,p.1027,1030

[3]BeilsteinJournalofOrganicChemistry,2017,vol.13,p.1518-1523

[1]Patent:WO2009/110985,2009,A2,.Locationinpatent:Page/Pagecolumn109-110

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2000,vol.43,p.599-608

[2]JournalofMedicinalChemistry,2008,vol.51,p.4685-4698

[3]BioorganicandMedicinalChemistryLetters,2018,vol.28,p.3708-3711

[4]Patent:WO2013/57711,2013,A1.Locationinpatent:Page/Pagecolumn52-53

[5]Patent:WO2013/88404,2013,A1.Locationinpatent:Page/Pagecolumn99

[6]Patent:US2015/342951,2015,A1.Locationinpatent:Paragraph0869-0870

[1]JournalofMedicinalChemistry,2000,vol.43,p.599-608

[1]Patent:WO2007/39736,2007,A1.Locationinpatent:Page/Pagecolumn65

[2]Patent:US2008/293775,2008,A1.Locationinpatent:Page/Pagecolumn41

[1]Patent:US2009/203677,2009,A1.Locationinpatent:Page/Pagecolumn53

[2]Patent:US2009/197871,2009,A1.Locationinpatent:Page/Pagecolumn53

[3]Patent:WO2009/100169,2009,A1.Locationinpatent:Page/Pagecolumn131

[4]Patent:US2014/288045,2014,A1.Locationinpatent:Paragraph0512

[5]Patent:WO2016/44772,2016,A1.Locationinpatent:Paragraph303;304

[1]Patent:US2009/203657,2009,A1.Locationinpatent:Page/Pagecolumn50

Literature
Quotation Request
Company Name:
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Email:
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Quantity Required:
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Additional Info:
Submit
SDS
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Tags:157893-14-6 Molecular Formula|157893-14-6 MDL|157893-14-6 SMILES|157893-14-6 3-Bromo-5-methoxybenzoic acid
Catalog No.: AA001PQE
157893-14-6,MFCD00266858
157893-14-6 | 3-Bromo-5-methoxybenzoic acid
Pack Size： 1g
Purity： 97%
in stock
$19.00 $13.00
Pack Size： 5g
Purity： 97%
in stock
$35.00 $25.00
Pack Size： 10g
Purity： 97%
in stock
$69.00 $49.00
Pack Size： 25g
Purity： 97%
in stock
$137.00 $96.00
Pack Size： 100g
Purity： 97%
in stock
$546.00 $382.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001PQE
Chemical Name: 3-Bromo-5-methoxybenzoic acid
CAS Number: 157893-14-6
Molecular Formula: C8H7BrO3
Molecular Weight: 231.0434
MDL Number: MFCD00266858
SMILES: COc1cc(Br)cc(c1)C(=O)O
Properties
BP: 338.8 °C at 760 mmHg  
Form: Solid  
MP: 190-191℃(Solv: ethanol (64-17-5))  
Storage: Keep in dry area;Room Temperature;  
Complexity: 172  
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: 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: 2.9  
Upstream Synthesis Route
864293-44-7    157893-14-6 

[1]Patent:US2009/203677,2009,A1,.Locationinpatent:Page/Pagecolumn53

[2]Patent:US2009/197871,2009,A1,.Locationinpatent:Page/Pagecolumn53

[3]Patent:WO2009/100169,2009,A1,.Locationinpatent:Page/Pagecolumn131

[4]Patent:US2014/288045,2014,A1,.Locationinpatent:Paragraph0512

[5]Patent:WO2016/44772,2016,A1,.Locationinpatent:Paragraph303;304

29578-83-4    157893-14-6 

[1]JournalofMedicinalChemistry,2000,vol.43,#4,p.599-608

[2]JournalofMedicinalChemistry,2008,vol.51,#15,p.4685-4698

[3]BioorganicandMedicinalChemistryLetters,2018,vol.28,#23-24,p.3708-3711

[4]Patent:WO2013/57711,2013,A1,.Locationinpatent:Page/Pagecolumn52-53

[5]Patent:WO2013/88404,2013,A1,.Locationinpatent:Page/Pagecolumn99

[6]Patent:US2015/342951,2015,A1,.Locationinpatent:Paragraph0869-0870

864293-44-7    6303-21-5    157893-14-6 

[1]Patent:US2009/203657,2009,A1,.Locationinpatent:Page/Pagecolumn50

140472-69-1    77-78-1    157893-14-6 

[1]JournaloftheChemicalSociety,1955,p.461,464

[2]JournaloftheChemicalSociety,1959,p.1027,1030

[3]BeilsteinJournalofOrganicChemistry,2017,vol.13,p.1518-1523

618-58-6    124-41-4    157893-14-6 

[1]Patent:WO2009/110985,2009,A2,.Locationinpatent:Page/Pagecolumn109-110

Downstream Synthesis Route
29578-83-4    157893-14-6 

[1]JournalofMedicinalChemistry,2000,vol.43,p.599-608

[2]JournalofMedicinalChemistry,2008,vol.51,p.4685-4698

[3]BioorganicandMedicinalChemistryLetters,2018,vol.28,p.3708-3711

[4]Patent:WO2013/57711,2013,A1.Locationinpatent:Page/Pagecolumn52-53

[5]Patent:WO2013/88404,2013,A1.Locationinpatent:Page/Pagecolumn99

[6]Patent:US2015/342951,2015,A1.Locationinpatent:Paragraph0869-0870

157893-14-6    262450-65-7 

[1]JournalofMedicinalChemistry,2000,vol.43,p.599-608

867366-91-4    157893-14-6 

[1]Patent:WO2007/39736,2007,A1.Locationinpatent:Page/Pagecolumn65

[2]Patent:US2008/293775,2008,A1.Locationinpatent:Page/Pagecolumn41

864293-44-7    157893-14-6 

[1]Patent:US2009/203677,2009,A1.Locationinpatent:Page/Pagecolumn53

[2]Patent:US2009/197871,2009,A1.Locationinpatent:Page/Pagecolumn53

[3]Patent:WO2009/100169,2009,A1.Locationinpatent:Page/Pagecolumn131

[4]Patent:US2014/288045,2014,A1.Locationinpatent:Paragraph0512

[5]Patent:WO2016/44772,2016,A1.Locationinpatent:Paragraph303;304

864293-44-7    6303-21-5    157893-14-6 

[1]Patent:US2009/203657,2009,A1.Locationinpatent:Page/Pagecolumn50

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