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

CAS Registry Number®

377780-80-8
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CAS Name

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

Molecular Formula

C13H16BNO6

Molecular Mass

293.08

Cite this Page

3-Nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=377780-80-8 (retrieved 2024-04-24) (CAS RN: 377780-80-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H16BNO6/c1-12(2)13(3,4)21-14(20-12)9-5-8(11(16)17)6-10(7-9)15(18)19/h5-7H,1-4H3,(H,16,17)

InChIKey

InChIKey=OYMDMSRXMZRHPB-UHFFFAOYSA-N

SMILES

CC1(C)OB(OC1(C)C)C2=CC(C(O)=O)=CC(N(=O)=O)=C2

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
  • 3-Nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

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