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

CAS Registry Number®

775351-58-1
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CAS Name

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

Molecular Formula

C13H15BN2O4

Molecular Mass

274.08

Cite this Page

3-Nitro-4-(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=775351-58-1 (retrieved 2024-08-29) (CAS RN: 775351-58-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H15BN2O4/c1-12(2)13(3,4)20-14(19-12)10-6-5-9(8-15)7-11(10)16(17)18/h5-7H,1-4H3

InChIKey

InChIKey=PNQFLPGHZXHUKN-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(B2OC(C)(C)C(C)(C)O2)C=CC(C#N)=C1

Canonical SMILES

N#CC1=CC=C(B2OC(C)(C)C(O2)(C)C)C(=C1)N(=O)=O

Other Names for this Substance

  • Benzonitrile, 3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 3-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
  • 3-Nitro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile