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Home Fluorides 213598-05-1
213598-05-1,MFCD13173376
Catalog No.:AA00BLH9

213598-05-1 | 3-(2,2,2-Trifluoroacetyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$42.00   $29.00
- +
250mg
95%
in stock  
$74.00   $52.00
- +
1g
95%
in stock  
$162.00   $114.00
- +
5g
95%
in stock  
$704.00   $493.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00BLH9
Chemical Name:
3-(2,2,2-Trifluoroacetyl)benzoic acid
CAS Number:
213598-05-1
Molecular Formula:
C9H5F3O3
Molecular Weight:
218.1294
MDL Number:
MFCD13173376
SMILES:
O=C(C(F)(F)F)c1cccc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
272  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.7  

Literature

Title: Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors.

Journal: Journal of medicinal chemistry 20091008

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SDS
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Tags:213598-05-1 Molecular Formula|213598-05-1 MDL|213598-05-1 SMILES|213598-05-1 3-(2,2,2-Trifluoroacetyl)benzoic acid