Chemical Properties of Coumachlor (CAS 81-82-3)

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

InChI Key

DEKWZWCFHUABHE-UHFFFAOYSA-N

Formula

C19H15ClO4

SMILES

CC(=O)CC(c1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O

Molecular Weight¹

342.77

CAS

81-82-3

Other Names

• (.+/-.)-Coumachlor
• 2H-1-Benzopyran-2-one, 3-[1-(4-chlorophenyl)-3-oxobutyl]-4-hydroxy-
• 3-(1-(4-Chloorfenyl)-3-oxo-butyl)-4-hydroxy-cumarine
• 3-(1-(4-Chlor-phenyl)-3-oxo-butyl)-4-hydroxy-cumarin
• 3-(1-(4-Chlorophenyl)-3-oxo-butyl)-4-hydroxy-coumarine
• 3-(1-(4-Cloro-fenil)-3-oxo-butil)-4-idrossicumarina
• 3-(1-Acetyl-2-(p-chlorophenyl)ethyl)-4-hydroxycoumarin
• 3-(«alpha»-(p-Chlorphenyl)-«beta»-acetylaethyl)-4-hydroxycumarin
• 3-(«alpha»-Acetonyl-4-chlorobenzyl)-4-hydroxycoumarin
• 3-(«alpha»-Acetonyl-p-chlorobenzyl)-4-hydroxycoumarin
• 3-(«alpha»-p-Chlorophenyl-«beta»-acetylethyl)-4-hydroxycoumarin
• 3-(«alpha»-(p-Chlorphenyl)-«beta»-acetylaethyl)-4-hydroxycumarin
• 3-(«alpha»-Acetonyl-4-chlorobenzyl)-4-hydroxycoumarin
• 3-(«alpha»-Acetonyl-p-chlorobenzyl)-4-hydroxycoumarin
• 3-(«alpha»-p-Chlorophenyl-«beta»-acetylethyl)-4-hydroxycoumarin
• 4-Hydroxy-3-[3-oxo-1-(4-chlorophenyl)butyl]coumarin
• Coumachlore
• Coumarin, 3-(«alpha»-acetonyl-p-chlorobenzyl)-4-hydroxy-
• Coumarin, 3-(«alpha»-acetonyl-p-chlorobenzyl)-4-hydroxy-
• Cumachloor
• Cumachlor
• Experimental Rodenticide 332
• G-23133
• Geigy Rodenticide Exp. 332
• Kumachlor
• Ratilan
• Tomorin
• dl-3-(«alpha»-Acetonyl-4-chlorobenzyl)-4-hydroxycoumarin
• dl-3-(«alpha»-Acetonyl-4-chlorobenzyl)-4-hydroxycoumarin

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	[-5.84; -5.84]
log10WS	-5.84		Aq. Sol...
log10WS	-5.84		Estimat...
logPoct/wat	4.263		Crippen Calculated Property
McVol	243.010	ml/mol	McGowan Calculated Property

Similar Compounds

Find more compounds similar to Coumachlor.

Sources

• Crippen Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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