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Home > Boronic Acids > 5735-41-1
5735-41-1 | 1-Hydroxy-2,1-benzoxaborolane
CAS No: 5735-41-1 Catalog No: AG00E9AP MDL No:MFCD01075677
Product Description
Catalog Number:
AG00E9AP
Chemical Name:
1-Hydroxy-2,1-benzoxaborolane
CAS Number:
5735-41-1
Molecular Formula:
C7H7BO2
Molecular Weight:
133.9403
MDL Number:
MFCD01075677
IUPAC Name:
1-hydroxy-3H-2,1-benzoxaborole
InChI:
InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2
InChI Key:
XOQABDOICLHPIS-UHFFFAOYSA-N
SMILES:
OB1OCc2c1cccc2
NSC Number:
719278
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
133.941g/mol
Monoisotopic Mass:
134.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and structure-activity relationship of Trypanosoma brucei leucyl-tRNA synthetase inhibitors as antitrypanosomal agents. | Journal of medicinal chemistry 20110310 |
| Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors. | Journal of medicinal chemistry 20091008 |
| Discovery of a new boron-containing antifungal agent, 5-fluoro-1,3-dihydro-1-hydroxy-2,1- benzoxaborole (AN2690), for the potential treatment of onychomycosis. | Journal of medicinal chemistry 20060727 |
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