(±)-Coumachlor
CAS Registry Number®
81-82-3
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CAS Name
(±)-CoumachlorMolecular Formula
C19H15ClO4Molecular Mass
342.77Cite this Page
(±)-Coumachlor. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=81-82-3 (retrieved ) (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
Deleted or Replaced CAS Registry Numbers
95041-39-7, 128660-48-0
