Benzonitrile, 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-


Chemical Name: Benzonitrile, 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-
CAS Number: 214360-45-9
Product Number: AG0072D9(AGN-PC-00UQPN)
Synonyms:
MDL No:
Molecular Formula: C12H14BNO2
Molecular Weight: 215.0561

Identification/Properties


Computed Properties
Molecular Weight:
215.059g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
215.112g/mol
Monoisotopic Mass:
215.112g/mol
Topological Polar Surface Area:
42.2A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
287
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#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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