2,6-Diisopropylphenylboronic Acid
Product Information
Molecular Formula
C12H19O2B
Molecular Weight
206.09
Description
Reactant for: Synthesis of selective inhibitors of dihydrofolate reductase from Cryptosporidium; Synthesis of a boro aluminoxane capable of activating a zirconocene ethene polymerization catalyst.
Synonyms
[2,6-di(propan-2-yl)phenyl]boronic acid; [2,6-di(propan-2-yl)phenyl]boronic acid
IUPAC Name
[2,6-di(propan-2-yl)phenyl]boronic acid
SMILES
B(C1=C(C=CC=C1C(C)C)C(C)C)(O)O
InChI
InChI=1S/C12H19BO2/c1-8(2)10-6-5-7-11(9(3)4)12(10)13(14)15/h5-9,14-15H,1-4H3
InChI Key
UPXGMXMTUMCLGD-UHFFFAOYSA-N
Melting Point
167-172 °C
Flash Point
Not applicable
Appearance
White to beige powder or solid
LogP
1.61320
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
206.1478100 g/mol
Monoisotopic Mass
206.1478100 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
176
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
