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Home > Boronic Acids > 16114-47-9
16114-47-9 | Boronic acid, B-(3,5-dimethyl-4-isoxazolyl)-
CAS No: 16114-47-9 Catalog No: AG001S7V MDL No:MFCD02677945
Product Description
Catalog Number:
AG001S7V
Chemical Name:
Boronic acid, B-(3,5-dimethyl-4-isoxazolyl)-
CAS Number:
16114-47-9
Molecular Formula:
C5H8BNO3
Molecular Weight:
140.9329
MDL Number:
MFCD02677945
IUPAC Name:
(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid
InChI:
InChI=1S/C5H8BNO3/c1-3-5(6(8)9)4(2)10-7-3/h8-9H,1-2H3
InChI Key:
DIIFZCPZIRQDIJ-UHFFFAOYSA-N
SMILES:
OB(c1c(C)noc1C)O
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.06g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.933g/mol
Monoisotopic Mass:
141.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis of functionalized cinnamaldehyde derivatives by an oxidative Heck reaction and their use as starting materials for preparation of Mycobacterium tuberculosis 1-deoxy-D-xylulose-5-phosphate reductoisomerase inhibitors. | The Journal of organic chemistry 20111104 |
| 3,5-dimethylisoxazoles act as acetyl-lysine-mimetic bromodomain ligands. | Journal of medicinal chemistry 20111013 |
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