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Home > Boronic Acids > 779331-47-4
779331-47-4 | (2-(Benzyloxy)-5-fluorophenyl)boronic acid
CAS No: 779331-47-4 Catalog No: AG008NXU MDL No:MFCD03788403
Product Description
Catalog Number:
AG008NXU
Chemical Name:
(2-(Benzyloxy)-5-fluorophenyl)boronic acid
CAS Number:
779331-47-4
Molecular Formula:
C13H12BFO3
Molecular Weight:
246.0420
MDL Number:
MFCD03788403
IUPAC Name:
(5-fluoro-2-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C13H12BFO3/c15-11-6-7-13(12(8-11)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2
InChI Key:
ULIJNMCAPASXHA-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)B(O)O)OCc1ccccc1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.086g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.044g/mol
Monoisotopic Mass:
246.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship for aryl and heteroaryl boronic acid inhibitors of hormone-sensitive lipase. | Bioorganic & medicinal chemistry 20050315 |
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