2,3-Dichloropyridine-4-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C11H14Cl2NO2B
Molecular Weight
273.95
Description
2,3-Dichloropyridine-4-boronic Acid Pinacol Ester (CAS# 1073353-78-2) is a useful research chemical.
Synonyms
2,3-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2,3-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Name
2,3-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=NC=C2)Cl)Cl
InChI
InChI=1S/C11H14BCl2NO2/c1-10(2)11(3,4)17-12(16-10)7-5-6-15-9(14)8(7)13/h5-6H,1-4H3
InChI Key
LRQNNFMOVWWIHA-UHFFFAOYSA-N
Boiling Point
361.4 °C at 760 mmHg
Melting Point
82-87 °C
Purity
97 %
Density
1.24 g/cm3
LogP
2.68760
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
273.0494642 g/mol
Monoisotopic Mass
273.0494642 g/mol
Topological Polar Surface Area
31.4Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
285
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