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Home > Boronic Acids > 905710-76-1
905710-76-1 | 5-methyl-1,3-dihydro-2,1-benzoxaborol-1-ol
CAS No: 905710-76-1 Catalog No: AG01C59I MDL No:MFCD22415409
Product Description
Catalog Number:
AG01C59I
Chemical Name:
5-methyl-1,3-dihydro-2,1-benzoxaborol-1-ol
CAS Number:
905710-76-1
Molecular Formula:
C8H9BO2
Molecular Weight:
147.9669
MDL Number:
MFCD22415409
IUPAC Name:
1-hydroxy-5-methyl-3H-2,1-benzoxaborole
InChI:
InChI=1S/C8H9BO2/c1-6-2-3-8-7(4-6)5-11-9(8)10/h2-4,10H,5H2,1H3
InChI Key:
DPQXHKISEXZJPD-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)COB2O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.07g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.968g/mol
Monoisotopic Mass:
148.07g/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 |
|---|---|
| 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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