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Home > Boronic Acids > 108749-15-1
108749-15-1 | 3-Acetamido-5-boronobenzoic acid
CAS No: 108749-15-1 Catalog No: AG007U04 MDL No:MFCD08436066
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 |
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