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Home Nitriles 1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-5-carbonitrile

1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-5-carbonitrile

CAS No.:
905710-80-7
Catalog Number:
AG00H2EA
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00H2EA
Chemical Name:
1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-5-carbonitrile
CAS Number:
905710-80-7
MDL Number:
MFCD22393302
IUPAC Name:
1-hydroxy-3H-2,1-benzoxaborole-5-carbonitrile
InChI:
InChI=1S/C8H6BNO2/c10-4-6-1-2-8-7(3-6)5-12-9(8)11/h1-3,11H,5H2
InChI Key:
DGIOKAFHCWJCKM-UHFFFAOYSA-N
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.049g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.951g/mol
Monoisotopic Mass:
159.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.2A^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