3-Cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

CAS Registry Number®

1220696-45-6
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CAS Name

3-Cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Molecular Formula

C16H20BNO2

Molecular Mass

269.15

Cite this Page

3-Cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1220696-45-6 (retrieved 2024-09-11) (CAS RN: 1220696-45-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H20BNO2/c1-15(2)16(3,4)20-17(19-15)14-8-11(10-18)7-13(9-14)12-5-6-12/h7-9,12H,5-6H2,1-4H3

InChIKey

InChIKey=YYFKPEOWZLZMNE-UHFFFAOYSA-N

SMILES

CC1(C)OB(OC1(C)C)C2=CC(=CC(C#N)=C2)C3CC3

Canonical SMILES

N#CC=1C=C(C=C(C1)C2CC2)B3OC(C)(C)C(O3)(C)C

Other Names for this Substance

  • Benzonitrile, 3-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 3-Cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
  • 3-Cyclopropyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile