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Home > Boronic Acids > 89596-56-5
89596-56-5 | Boroxin, methyl-
CAS No: 89596-56-5 Catalog No: AG007J6W MDL No:
Product Description
Catalog Number:
AG007J6W
Chemical Name:
Boroxin, methyl-
CAS Number:
89596-56-5
Molecular Formula:
CH5B3O3
Molecular Weight:
97.4816
IUPAC Name:
2-methyl-1,3,5,2,4λ2,6λ2-trioxatriborinane
InChI:
InChI=1S/CH3B3O3/c1-4-6-2-5-3-7-4/h1H3
InChI Key:
QYBTUFPDFJBKQW-UHFFFAOYSA-N
SMILES:
CB1OBOBO1
Properties
Complexity:
52.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.036g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
95.462g/mol
Monoisotopic Mass:
96.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Palladium-catalyzed alkylation of sp2 and sp3 C-H bonds with methylboroxine and alkylboronic acids: two distinct C-H activation pathways. | Journal of the American Chemical Society 20061004 |
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