3-(Aminosulfonyl)-4-chloro-5-nitrobenzoic acid

CAS Registry Number®

22892-96-2

CAS Name

3-(Aminosulfonyl)-4-chloro-5-nitrobenzoic acid

Molecular Formula

C7H5ClN2O6S

Molecular Mass

280.64

Cite this Page

3-(Aminosulfonyl)-4-chloro-5-nitrobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=22892-96-2 (retrieved 2024-11-24) (CAS RN: 22892-96-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    235-236.5 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H5ClN2O6S/c8-6-4(10(13)14)1-3(7(11)12)2-5(6)17(9,15)16/h1-2H,(H,11,12)(H2,9,15,16)

InChIKey

InChIKey=ACYLUAGCBGTEJF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-(aminosulfonyl)-4-chloro-5-nitro-
  • Benzoic acid, 4-chloro-3-nitro-5-sulfamoyl-
  • 3-(Aminosulfonyl)-4-chloro-5-nitrobenzoic acid
  • 4-Chloro-3-nitro-5-sulfamoylbenzoate acid
  • 4-Chloro-3-nitro-5-sulfamoylbenzoic acid

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