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


Chemical Name: Benzonitrile, 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-5-(trifluoromethyl)-
CAS Number: 883898-98-4
Product Number: AG008D65(AGN-PC-00B3YD)
Synonyms:
MDL No:
Molecular Formula: C13H13BF3NO2
Molecular Weight: 283.0540

Identification/Properties


Computed Properties
Molecular Weight:
283.057g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
283.099g/mol
Monoisotopic Mass:
283.099g/mol
Topological Polar Surface Area:
42.2A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
394
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-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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