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Home > Boronic Acids > 174671-91-1
174671-91-1 | 5,6-difluoro-1,3-dihydro-2,1-benzoxaborol-1-ol
CAS No: 174671-91-1 Catalog No: AG01C59G MDL No:MFCD22415415
Product Description
Catalog Number:
AG01C59G
Chemical Name:
5,6-difluoro-1,3-dihydro-2,1-benzoxaborol-1-ol
CAS Number:
174671-91-1
Molecular Formula:
C7H5BF2O2
Molecular Weight:
169.9212
MDL Number:
MFCD22415415
IUPAC Name:
5,6-difluoro-1-hydroxy-3H-2,1-benzoxaborole
InChI:
InChI=1S/C7H5BF2O2/c9-6-1-4-3-12-8(11)5(4)2-7(6)10/h1-2,11H,3H2
InChI Key:
ORKULFFYLCPBRO-UHFFFAOYSA-N
SMILES:
OB1OCc2c1cc(F)c(c2)F
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.922g/mol
Monoisotopic Mass:
170.035g/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 |
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