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Home > Boronic Acids > 174671-92-2
174671-92-2 | 2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-5-methoxy-
CAS No: 174671-92-2 Catalog No: AG001ZVL MDL No:MFCD10699480
Product Description
Catalog Number:
AG001ZVL
Chemical Name:
2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-5-methoxy-
CAS Number:
174671-92-2
Molecular Formula:
C8H9BO3
Molecular Weight:
163.9663
MDL Number:
MFCD10699480
IUPAC Name:
1-hydroxy-5-methoxy-3H-2,1-benzoxaborole
InChI:
InChI=1S/C8H9BO3/c1-11-7-2-3-8-6(4-7)5-12-9(8)10/h2-4,10H,5H2,1H3
InChI Key:
XBCBZHBKJDEYCI-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)COB2O
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.967g/mol
Monoisotopic Mass:
164.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Discovery and structure-activity study of a novel benzoxaborole anti-inflammatory agent (AN2728) for the potential topical treatment of psoriasis and atopic dermatitis. | Bioorganic & medicinal chemistry letters 20090415 |
| 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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