3-(Acetylamino)-5-[(acetylamino)methyl]-2,4,6-triiodobenzoic acid

CAS Registry Number®

440-58-4
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CAS Name

3-(Acetylamino)-5-[(acetylamino)methyl]-2,4,6-triiodobenzoic acid

Molecular Formula

C12H11I3N2O4

Molecular Mass

627.94

Cite this Page

3-(Acetylamino)-5-[(acetylamino)methyl]-2,4,6-triiodobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=440-58-4 (retrieved 2024-03-05) (CAS RN: 440-58-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    255 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C12H11I3N2O4/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)

InChIKey

InChIKey=VVDGWALACJEJKG-UHFFFAOYSA-N

SMILES

N(C(C)=O)C1=C(I)C(C(O)=O)=C(I)C(CNC(C)=O)=C1I

Canonical SMILES

O=C(O)C1=C(I)C(NC(=O)C)=C(I)C(=C1I)CNC(=O)C

Other Names for this Substance

  • Benzoic acid, 3-(acetylamino)-5-[(acetylamino)methyl]-2,4,6-triiodo-
  • m-Toluic acid, α,5-diacetamido-2,4,6-triiodo-
  • 3-(Acetylamino)-5-[(acetylamino)methyl]-2,4,6-triiodobenzoic acid
  • 3-Acetamido-5-acetamidomethyl-2,4,6-triiodobenzoic acid
  • Iodamide

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