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Home Bromides 54796-53-1
54796-53-1,MFCD11110671
Catalog No.:AA0037KH

54796-53-1 | 5-Bromo-4-methylthiophene-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$45.00   $32.00
- +
5g
98%
in stock  
$162.00   $113.00
- +
10g
98%
in stock  
$278.00   $195.00
- +
25g
98%
in stock  
$544.00   $381.00
- +
100g
98%
in stock  
$1,640.00   $1,148.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0037KH
Chemical Name:
5-Bromo-4-methylthiophene-2-carboxylic acid
CAS Number:
54796-53-1
Molecular Formula:
C6H5BrO2S
Molecular Weight:
221.0717
MDL Number:
MFCD11110671
SMILES:
OC(=O)c1cc(c(s1)Br)C
Properties
Properties
 
BP:
322.448°C at 760 mmHg  
Form:
Solid  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
151  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.9  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1997,vol.40,p.2502-2524

[1]JournalofMedicinalChemistry,1997,vol.40,p.2502-2524

[1]JournalofMedicinalChemistry,1997,vol.40,p.2502-2524

[1]JournalofMedicinalChemistry,1997,vol.40,p.2502-2524

Literature

Title: Potent new small-molecule inhibitor of botulinum neurotoxin serotype A endopeptidase developed by synthesis-based computer-aided molecular design.

Journal: PloS one 20090101

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Additional Info:
SDS
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