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Home > Boronic Acids > 174672-06-1
174672-06-1 | 5-Chloro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole
CAS No: 174672-06-1 Catalog No: AG00AMH2 MDL No:MFCD18633195
Product Description
Catalog Number:
AG00AMH2
Chemical Name:
5-Chloro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole
CAS Number:
174672-06-1
Molecular Formula:
C7H6BClO2
Molecular Weight:
168.3853
MDL Number:
MFCD18633195
IUPAC Name:
5-chloro-1-hydroxy-3H-2,1-benzoxaborole
InChI:
InChI=1S/C7H6BClO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
InChI Key:
HMAFTPZYFJFEHK-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)COB2O
UNII:
810U6C2DGG
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.383g/mol
Monoisotopic Mass:
168.015g/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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