Name: Name:2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-5-methoxy-
Brand: Angene
SKU: AG001ZVL
Rating: 90 (10 reviews)

2,1-Benzoxaborole, 1,3-dihydro-1-hydroxy-5-methoxy-

CAS No.:

174671-92-2

Catalog Number:

AG001ZVL

Molecular Formula:

C8H9BO3

Molecular Weight:

163.9663

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Purity

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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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

164.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

163.967g/mol

Monoisotopic Mass:

164.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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