1-Methyl 4-borono-3-nitrobenzoate

CAS Registry Number®

85107-55-7
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CAS Name

1-Methyl 4-borono-3-nitrobenzoate

Molecular Formula

C8H8BNO6

Molecular Mass

224.96

Cite this Page

1-Methyl 4-borono-3-nitrobenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=85107-55-7 (retrieved 2024-05-04) (CAS RN: 85107-55-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C8H8BNO6/c1-16-8(11)5-2-3-6(9(12)13)7(4-5)10(14)15/h2-4,12-13H,1H3

InChIKey

InChIKey=SFEJGHJCGQNFQC-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(B(O)O)C=CC(C(OC)=O)=C1

Canonical SMILES

O=C(OC)C1=CC=C(B(O)O)C(=C1)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 4-borono-3-nitro-, 1-methyl ester
  • Benzoic acid, 4-borono-3-nitro-, methyl ester
  • 1-Methyl 4-borono-3-nitrobenzoate
  • [4-(Methoxycarbonyl)-2-nitrophenyl]boronic acid

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