3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine-2-carbonitrile


Chemical Name: 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine-2-carbonitrile
CAS Number: 868944-75-6
Product Number: AG004LVO(AGN-PC-00YV3O)
Synonyms:
MDL No:
Molecular Formula: C11H13BN2O2
Molecular Weight: 216.0441

Identification/Properties


Computed Properties
Molecular Weight:
216.047g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
216.107g/mol
Monoisotopic Mass:
216.107g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
290
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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