200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 5980-97-2
5980-97-2 | 2,4,6-Trimethylphenylboronic acid
CAS No: 5980-97-2 Catalog No: AG0038MD MDL No:MFCD00236060
Product Description
Catalog Number:
AG0038MD
Chemical Name:
2,4,6-Trimethylphenylboronic acid
CAS Number:
5980-97-2
Molecular Formula:
C9H13BO2
Molecular Weight:
164.0093
MDL Number:
MFCD00236060
IUPAC Name:
(2,4,6-trimethylphenyl)boronic acid
InChI:
InChI=1S/C9H13BO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5,11-12H,1-3H3
InChI Key:
BZXQRXJJJUZZAJ-UHFFFAOYSA-N
SMILES:
OB(c1c(C)cc(cc1C)C)O
NSC Number:
157832
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.101g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.011g/mol
Monoisotopic Mass:
164.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| (2,4,6-Trimethyl-phen-yl)boronic acid-triphenyl-phosphine oxide (1/1). | Acta crystallographica. Section E, Structure reports online 20120101 |
| Reactions of hydroxymesitylboranes with metal alkyls: an approach to new sterically hindered (metaloxy)mesitylboranes. | Inorganic chemistry 20020506 |
Related Products
© 2019 Angene International Limited. All rights Reserved.