Cetophenicol

CAS Registry Number®

735-52-4

CAS Name

Cetophenicol

Molecular Formula

C13H15Cl2NO4

Molecular Mass

320.17

Cite this Page

Cetophenicol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=735-52-4 (retrieved 2024-11-25) (CAS RN: 735-52-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    128-129 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H15Cl2NO4/c1-7(18)8-2-4-9(5-3-8)11(19)10(6-17)16-13(20)12(14)15/h2-5,10-12,17,19H,6H2,1H3,(H,16,20)/t10-,11-/m1/s1

InChIKey

InChIKey=PKUBDVAOXLEWBF-GHMZBOCLSA-N

SMILES

[C@@H]([C@H](NC(C(Cl)Cl)=O)CO)(O)C1=CC=C(C(C)=O)C=C1

Canonical SMILES

O=C(C1=CC=C(C=C1)C(O)C(NC(=O)C(Cl)Cl)CO)C

Other Names for this Substance

  • Acetamide, N-[(1R,2R)-2-(4-acetylphenyl)-2-hydroxy-1-(hydroxymethyl)ethyl]-2,2-dichloro-
  • Acetamide, N-[p-acetyl-β-hydroxy-α-(hydroxymethyl)phenethyl]-2,2-dichloro-, D-threo-
  • Acetamide, N-[2-(4-acetylphenyl)-2-hydroxy-1-(hydroxymethyl)ethyl]-2,2-dichloro-, [R-(R*,R*)]-
  • N-[(1R,2R)-2-(4-Acetylphenyl)-2-hydroxy-1-(hydroxymethyl)ethyl]-2,2-dichloroacetamide
  • W 3746

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