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Home Other Building Blocks 2,1-Benzoxaborole, 6-fluoro-1,3-dihydro-1-hydroxy-

2,1-Benzoxaborole, 6-fluoro-1,3-dihydro-1-hydroxy-

CAS No.:
174671-89-7
Catalog Number:
AG001ZVM
Molecular Formula:
C7H6BFO2
Molecular Weight:
151.9307
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Product Description
Catalog Number:
AG001ZVM
Chemical Name:
2,1-Benzoxaborole, 6-fluoro-1,3-dihydro-1-hydroxy-
CAS Number:
174671-89-7
Molecular Formula:
C7H6BFO2
Molecular Weight:
151.9307
MDL Number:
MFCD10699481
IUPAC Name:
6-fluoro-1-hydroxy-3H-2,1-benzoxaborole
InChI:
InChI=1S/C7H6BFO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3,10H,4H2
InChI Key:
QNCOVKFUYLBCNG-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)B(O)OC2
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.044g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
151.931g/mol
Monoisotopic Mass:
152.044g/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
Properties