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Home Other Building Blocks 7-fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol

7-fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol

CAS No.:
174671-93-3
Catalog Number:
AG01C59H
Molecular Formula:
C7H6BFO2
Molecular Weight:
151.9307
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Product Description
Catalog Number:
AG01C59H
Chemical Name:
7-fluoro-1,3-dihydro-2,1-benzoxaborol-1-ol
CAS Number:
174671-93-3
Molecular Formula:
C7H6BFO2
Molecular Weight:
151.9307
MDL Number:
MFCD22415414
IUPAC Name:
7-fluoro-1-hydroxy-3H-2,1-benzoxaborole
InChI:
InChI=1S/C7H6BFO2/c9-6-3-1-2-5-4-11-8(10)7(5)6/h1-3,10H,4H2
InChI Key:
LIGKOZHDSGAHME-UHFFFAOYSA-N
SMILES:
OB1OCc2c1c(F)ccc2
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