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Home > Boronic Acids > 179942-45-1
179942-45-1 | Boronic acid,B-[6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-naphthalenyl]-
CAS No: 179942-45-1 Catalog No: AG0075WH MDL No:MFCD04115644
Product Description
Catalog Number:
AG0075WH
Chemical Name:
Boronic acid,B-[6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-naphthalenyl]-
CAS Number:
179942-45-1
Molecular Formula:
C16H23BO3Si
Molecular Weight:
302.2485
MDL Number:
MFCD04115644
IUPAC Name:
[6-[tert-butyl(dimethyl)silyl]oxynaphthalen-2-yl]boronic acid
InChI:
InChI=1S/C16H23BO3Si/c1-16(2,3)21(4,5)20-15-9-7-12-10-14(17(18)19)8-6-13(12)11-15/h6-11,18-19H,1-5H3
InChI Key:
QJXUSWJSQVIBCP-UHFFFAOYSA-N
SMILES:
C[SiH](Oc1c(ccc2c1ccc(c2)C(C)(C)C)B(O)O)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.151g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.252g/mol
Monoisotopic Mass:
302.151g/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 |
|---|---|
| A solid-state (11)b NMR and computational study of boron electric field gradient and chemical shift tensors in boronic acids and boronic esters. | The journal of physical chemistry. A 20100422 |
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