Benzoic acid, 2-(bromomethyl)-5-nitro-, methyl ester

CAS Registry Number®

90725-68-1

CAS Name

Benzoic acid, 2-(bromomethyl)-5-nitro-, methyl ester

Molecular Formula

C9H8BrNO4

Molecular Mass

274.07

Cite this Page

Benzoic acid, 2-(bromomethyl)-5-nitro-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=90725-68-1 (retrieved 2024-11-22) (CAS RN: 90725-68-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    76-77 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H8BrNO4/c1-15-9(12)8-4-7(11(13)14)3-2-6(8)5-10/h2-4H,5H2,1H3

InChIKey

InChIKey=OAEABYNRBPCSQB-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(OC)C1=CC(=CC=C1CBr)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 2-(bromomethyl)-5-nitro-, methyl ester
  • o-Toluic acid, α-bromo-5-nitro-, methyl ester
  • Methyl 2-(bromomethyl)-5-nitrobenzoate
  • EC2-053

CAS INSIGHTSTM
Targeted protein degrader structure, illustration