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Home Other Building Blocks 3-Acetamido-5-boronobenzoic acid

3-Acetamido-5-boronobenzoic acid

CAS No.:
108749-15-1
Catalog Number:
AG007U04
Molecular Formula:
C9H10BNO5
Molecular Weight:
222.9904
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$210
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Product Description
Catalog Number:
AG007U04
Chemical Name:
3-Acetamido-5-boronobenzoic acid
CAS Number:
108749-15-1
Molecular Formula:
C9H10BNO5
Molecular Weight:
222.9904
MDL Number:
MFCD08436066
IUPAC Name:
3-acetamido-5-boronobenzoic acid
InChI:
InChI=1S/C9H10BNO5/c1-5(12)11-8-3-6(9(13)14)2-7(4-8)10(15)16/h2-4,15-16H,1H3,(H,11,12)(H,13,14)
InChI Key:
JXYOFLNJWCEEBS-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc(cc(c1)C(=O)O)B(O)O
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.065g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
222.991g/mol
Monoisotopic Mass:
223.065g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors. Journal of medicinal chemistry 20091008
Properties