Methyl 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

CAS Registry Number®

957061-12-0
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CAS Name

Methyl 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Molecular Formula

C14H18BNO6

Molecular Mass

307.11

Cite this Page

Methyl 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=957061-12-0 (retrieved 2024-08-29) (CAS RN: 957061-12-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H18BNO6/c1-13(2)14(3,4)22-15(21-13)10-6-9(12(17)20-5)7-11(8-10)16(18)19/h6-8H,1-5H3

InChIKey

InChIKey=KSHZAKDFKZEZJQ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OC)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)-, methyl ester
  • Methyl 3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
  • 3-Nitro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid methyl ester