Benzoic acid, 3-(chlorocarbonyl)-5-nitro-, methyl ester

CAS Registry Number®

1955-04-0

CAS Name

Benzoic acid, 3-(chlorocarbonyl)-5-nitro-, methyl ester

Molecular Formula

C9H6ClNO5

Molecular Mass

243.60

Cite this Page

Benzoic acid, 3-(chlorocarbonyl)-5-nitro-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1955-04-0 (retrieved 2024-11-21) (CAS RN: 1955-04-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    72.4-74.0 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H6ClNO5/c1-16-9(13)6-2-5(8(10)12)3-7(4-6)11(14)15/h2-4H,1H3

InChIKey

InChIKey=DQTOZIJNMYYCJE-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(Cl)C=1C=C(C=C(C1)N(=O)=O)C(=O)OC

Other Names for this Substance

  • Benzoic acid, 3-(chlorocarbonyl)-5-nitro-, methyl ester
  • Benzoic acid, 3-(chloroformyl)-5-nitro-, methyl ester
  • 3-Carbomethoxy-5-nitrobenzoyl chloride
  • Methyl 3-(chloroformyl)-5-nitrobenzoate
  • 3-Methoxycarbonyl-5-nitrobenzoyl chloride

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration