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Home > Boronic Acids > 1196473-62-7
1196473-62-7 | 5-Pyrimidinecarboxylic acid, 2-[(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)oxy]-
CAS No: 1196473-62-7 Catalog No: AG000PEK MDL No:
Product Description
Catalog Number:
AG000PEK
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-[(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)oxy]-
CAS Number:
1196473-62-7
Molecular Formula:
C12H9BN2O5
Molecular Weight:
272.0213
IUPAC Name:
2-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C12H9BN2O5/c16-11(17)8-4-14-12(15-5-8)20-9-2-1-7-6-19-13(18)10(7)3-9/h1-5,18H,6H2,(H,16,17)
InChI Key:
PYLBHVLRISNLHE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc(nc1)Oc1ccc2c(c1)B(O)OC2
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.06g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.023g/mol
Monoisotopic Mass:
272.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR of novel benzoxaboroles as a new class of β-lactamase inhibitors. | Bioorganic & medicinal chemistry letters 20110415 |
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