(±)-Coumachlor

CAS Registry Number®

81-82-3

CAS Name

(±)-Coumachlor

Molecular Formula

C19H15ClO4

Molecular Mass

342.77

Cite this Page

(±)-Coumachlor.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81-82-3 (retrieved 2024-11-22) (CAS RN: 81-82-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    169-171 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C19H15ClO4/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,22H,10H2,1H3

InChIKey

InChIKey=DEKWZWCFHUABHE-UHFFFAOYSA-N

SMILES

C(CC(C)=O)(C1=C(O)C=2C(OC1=O)=CC=CC2)C3=CC=C(Cl)C=C3

Canonical SMILES

O=C1OC=2C=CC=CC2C(O)=C1C(C3=CC=C(Cl)C=C3)CC(=O)C

Other Names for this Substance

  • 2H-1-Benzopyran-2-one, 3-[1-(4-chlorophenyl)-3-oxobutyl]-4-hydroxy-
  • Coumachlor
  • Coumarin, 3-(α-acetonyl-p-chlorobenzyl)-4-hydroxy-
  • 3-[1-(4-Chlorophenyl)-3-oxobutyl]-4-hydroxy-2H-1-benzopyran-2-one
  • 3-(α-Acetonyl-4-chlorobenzyl)-4-hydroxycoumarin

View All

Deleted or Replaced CAS Registry Numbers

95041-39-7, 128660-48-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration